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

Systemtic Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenyl-propanamide Openeye Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenyl-propanamide CAS Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpropanamide IUPAC Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylpropanamide Traditional Name: 3-(3-amidinophenyl)-N-[4-(2-mesylphenyl)phenyl]-2-phenyl-propionamide Formula: C29H27N3O3S MolecularWeight: 497.60798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O3S/c1-36(34,35)27-13-6-5-12-25(27)22-14-16-24(17-15-22)32-29(33)26(21-9-3-2-4-10-21)19-20-8-7-11-23(18-20)28(30)31/h2-18,26H,19H2,1H3,(H3,30,31)(H,32,33)