2-[(3-carbamimidoylphenyl)-(phenylmethyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]propanamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)-(phenylmethyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Openeye Name: 2-(N-benzyl-3-carbamimidoyl-anilino)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide CAS Name: 2-(3-carbamimidoyl-N-(phenylmethyl)anilino)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide IUPAC Name: 2-(N-benzyl-3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Traditional Name: 2-(3-amidino-N-benzyl-anilino)-N-[4-(2-sulfamoylphenyl)phenyl]propionamide Formula: C29H29N5O3S MolecularWeight: 527.63726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)N(CC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)N(CC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C29H29N5O3S/c1-20(34(19-21-8-3-2-4-9-21)25-11-7-10-23(18-25)28(30)31)29(35)33-24-16-14-22(15-17-24)26-12-5-6-13-27(26)38(32,36)37/h2-18,20H,19H2,1H3,(H3,30,31)(H,33,35)(H2,32,36,37)