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

Systemtic Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-ethylsulfonylphenyl)phenyl]-2-(3-methoxyphenyl)propanamide Openeye Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-ethylsulfonylphenyl)phenyl]-2-(3-methoxyphenyl)propanamide CAS Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-ethylsulfonylphenyl)phenyl]-2-(3-methoxyphenyl)propanamide IUPAC Name: 3-(3-carbamimidoylphenyl)-N-[4-(2-ethylsulfonylphenyl)phenyl]-2-(3-methoxyphenyl)propanamide Traditional Name: 3-(3-amidinophenyl)-N-[4-(2-esylphenyl)phenyl]-2-(3-methoxyphenyl)propionamide Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31N3O4S/c1-3-39(36,37)29-13-5-4-12-27(29)22-14-16-25(17-15-22)34-31(35)28(23-9-7-11-26(20-23)38-2)19-21-8-6-10-24(18-21)30(32)33/h4-18,20,28H,3,19H2,1-2H3,(H3,32,33)(H,34,35)