N-[(4-carbamimidoylphenyl)methyl]-5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-benzamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-benzamide Openeye Name: 5-(benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-2-phenylsulfanyl-benzamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-5-[(phenylmethyl)sulfonylamino]-2-(phenylthio)benzamide IUPAC Name: 5-(benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-2-phenylsulfanylbenzamide Traditional Name: N-(4-amidinobenzyl)-5-(benzylsulfonylamino)-2-(phenylthio)benzamide Formula: C28H26N4O3S2 MolecularWeight: 530.66104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=C(C=C2)SC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=C(C=C2)SC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H26N4O3S2/c29-27(30)22-13-11-20(12-14-22)18-31-28(33)25-17-23(15-16-26(25)36-24-9-5-2-6-10-24)32-37(34,35)19-21-7-3-1-4-8-21/h1-17,32H,18-19H2,(H3,29,30)(H,31,33)