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

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenyl-propanamide Openeye Name: 2-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenyl-propanamide CAS Name: 2-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenylpropanamide IUPAC Name: 2-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenylpropanamide Traditional Name: 2-(3-amidinoanilino)-N-[4-(2-mesylphenyl)phenyl]-3-phenyl-propionamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C29H28N4O3S/c1-37(35,36)27-13-6-5-12-25(27)21-14-16-23(17-15-21)33-29(34)26(18-20-8-3-2-4-9-20)32-24-11-7-10-22(19-24)28(30)31/h2-17,19,26,32H,18H2,1H3,(H3,30,31)(H,33,34)