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Home> Hot Product Listed S   > STOCK6S-95431
116-34-7 structure

STOCK6S-95431

Iupac Name:2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide
CAS No.:116-34-7
Molecular Weight:321.351
Molecular Formula:C19H16N2O4S (isomer)
Names and Identifiers
Synonyms

AKOS005659819 AKOS016380376 ethyl (2-{[(1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazolin-3a(1h)-yl)carbonyl]amino}-1,3-thiazol-4-yl)acetate (non-preferred name) ethyl (2-{[(5-hydroxy-1-oxo-2,3-dihydropyrrolo[1,2-a]quinazolin-3a(1h)-yl)carbonyl]amino}-1,3-thiazol-4-yl)acetate (non-preferred name) ethyl 2-(2-{1,5-dioxo-2h,3h,4h-pyrrolo[1,2-a]quinazoline-3a-amido}-1,3-thiazol-4-yl)acetate MCULE-8540271361 MOLPORT-008-333-631 MOLPORT-008-354-747 STK930319 STL468251

Inchi
InChI=1S/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3
InChkey
AGSWRZMLPKYDNM-UHFFFAOYSA-N
Canonical Smiles
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N
Properties
Vapour
1.76E-11mmHg at 25°C
Refractive Index
1.65
HS Code
2935009090
Computational chemical data
  • Molecular Weight:321.351g/mol
  • Molecular Formula:C19H16N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:321.078
  • Monoisotopic Mass:321.078
  • Complexity:479
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:118A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzOABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAQUQAAACAjBUAQywYJQQAKB ACRCQ3DCABAhAgAoiBwIZIoIICLAkZGEIAxgkADIyAcQAAAAAACAACAAAQAAAQAAQAACAAAAAAAA AA==
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