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Home> Hot Product Listed T   > T6643772
808120-35-6 structure

T6643772

CAS No.:808120-35-6
Molecular Weight:189.262
Molecular Formula:C5H10N4S (isomer)
Names and Identifiers
Synonyms

MCULE-7466552992 MOLPORT-009-094-211 n-methyl-4-[(1-methylpiperidin-3-yl)amino]-3-nitrobenzene-1-sulfonamide Z785207700

Inchi
InChI=1S/C11H15N3/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5,12-13H2
InChkey
RGSRFWBFYAKENV-UHFFFAOYSA-N
Canonical Smiles
C1C2CNCC1C3=CC(=C(C=C23)N)N
Computational chemical data
  • Molecular Weight:189.262g/mol
  • Molecular Formula:C5H10N4S
  • Compound Is Canonicalized:True
  • Exact Mass:189.127
  • Monoisotopic Mass:189.127
  • Complexity:209
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:64.1A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAYAAAAA8QAAABYAAAGABAAAAHAAQAAAADQjBGAQwwILAAACA AiRCQACCAAAgAgAAiIAIdIgIYCKAkZGEIABgkACIyAcQgMAOiAAAQAAQACAQAACAACAAQQAACAAA AA==
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