4-(3-carbamimidoylphenyl)-1-(phenylmethyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide

Systemtic Name: 4-(3-carbamimidoylphenyl)-1-(phenylmethyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide Openeye Name: 1-benzyl-4-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide CAS Name: 4-(3-carbamimidoylphenyl)-1-(phenylmethyl)-N-[2-(2-sulfamoylphenyl)phenyl]-3-pyrrolecarboxamide IUPAC Name: 1-benzyl-4-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide Traditional Name: 4-(3-amidinophenyl)-1-benzyl-N-[2-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide Formula: C31H27N5O3S MolecularWeight: 549.64278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4S(=O)(=O)N)C5=CC(=CC=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4S(=O)(=O)N)C5=CC(=CC=C5)C(=N)N

InChI

InChI=1S/C31H27N5O3S/c32-30(33)23-12-8-11-22(17-23)26-19-36(18-21-9-2-1-3-10-21)20-27(26)31(37)35-28-15-6-4-13-24(28)25-14-5-7-16-29(25)40(34,38)39/h1-17,19-20H,18H2,(H3,32,33)(H,35,37)(H2,34,38,39)