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

Systemtic Name: 3-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide Openeye Name: 3-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide CAS Name: 3-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide IUPAC Name: 3-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]propanamide Traditional Name: 3-(3-amidinophenoxy)-N-[4-(2-mesylphenyl)phenyl]propionamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)CCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)CCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H23N3O4S/c1-31(28,29)21-8-3-2-7-20(21)16-9-11-18(12-10-16)26-22(27)13-14-30-19-6-4-5-17(15-19)23(24)25/h2-12,15H,13-14H2,1H3,(H3,24,25)(H,26,27)