N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylbenzamide Openeye Name: N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(4-azidosulfonylphenyl)methyl-[2-(phenylthio)ethyl]amino]methyl]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[(4-azidosulfonylbenzyl)-[2-(phenylthio)ethyl]amino]methyl]phenyl]sulfonylbenzamide Formula: C29H27N5O5S3 MolecularWeight: 621.75018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CN(CCSC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CN(CCSC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C29H27N5O5S3/c30-32-33-42(38,39)28-17-13-24(14-18-28)22-34(19-20-40-26-9-5-2-6-10-26)21-23-11-15-27(16-12-23)41(36,37)31-29(35)25-7-3-1-4-8-25/h1-18H,19-22H2,(H,31,35)