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

Systemtic Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide Openeye Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide CAS Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide IUPAC Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide Traditional Name: 3-(3-amidinophenyl)-N-[4-(2-mesylphenyl)phenyl]propionamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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)CCC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)CCC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H23N3O3S/c1-30(28,29)21-8-3-2-7-20(21)17-10-12-19(13-11-17)26-22(27)14-9-16-5-4-6-18(15-16)23(24)25/h2-8,10-13,15H,9,14H2,1H3,(H3,24,25)(H,26,27)