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Home> Hot Product Listed 4   > 4-([(1-BENZOFURAN-2-YLCARBONYL)AMINO]METHYL)BENZENESULFONYL CHLORIDE
939986-42-2 structure

4-([(1-BENZOFURAN-2-YLCARBONYL)AMINO]METHYL)BENZENESULFONYL CHLORIDE

Iupac Name:tert-butyl 4-(3-chloroquinoxalin-2-yl)oxypiperidine-1-carboxylate
CAS No.:939986-42-2
Molecular Weight:363.842
Molecular Formula:C9H14NA2O4 (isomer)
Names and Identifiers
Synonyms

4-([(BENZOFURAN-2-CARBONYL)-AMINO]-METHYL)-BENZENESULFONYL CHLORIDE

Inchi
InChI=1S/C18H22ClN3O3/c1-18(2,3)25-17(23)22-10-8-12(9-11-22)24-16-15(19)20-13-6-4-5-7-14(13)21-16/h4-7,12H,8-11H2,1-3H3
InChkey
RIOATDACYMWPRZ-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC3=CC=CC=C3N=C2Cl
Properties
Boiling Point
342°C at 760 mmHg
Computational chemical data
  • Molecular Weight:363.842g/mol
  • Molecular Formula:C9H14NA2O4
  • Compound Is Canonicalized:True
  • Exact Mass:363.135
  • Monoisotopic Mass:363.135
  • Complexity:463
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:64.6A^2
  • Heavy Atom Count:25
  • 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: AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgIAAAAADF7hliYyzLMIFACo ASRiXASCiCQhUmAImCA5dZgOYOPAkZHfKAjihgDYyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
 
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