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

Systemtic Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenyl-propanamide Openeye Name: 2-benzyl-3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenylpropanamide IUPAC Name: 2-benzyl-3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide Traditional Name: 2-(3-amidinobenzyl)-N-[4-(2-mesylphenyl)phenyl]-3-phenyl-propionamide Formula: C30H29N3O3S MolecularWeight: 511.63456

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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)CC4=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)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C30H29N3O3S/c1-37(35,36)28-13-6-5-12-27(28)23-14-16-26(17-15-23)33-30(34)25(18-21-8-3-2-4-9-21)20-22-10-7-11-24(19-22)29(31)32/h2-17,19,25H,18,20H2,1H3,(H3,31,32)(H,33,34)