methyl 3-(3-carbamimidoylphenyl)-5-[4-(phenylsulfonylamino)phenyl]pentanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[4-(phenylsulfonylamino)phenyl]pentanoate Openeye Name: methyl 5-[4-(benzenesulfonamido)phenyl]-3-(3-carbamimidoylphenyl)pentanoate CAS Name: 5-[4-(benzenesulfonamido)phenyl]-3-(3-carbamimidoylphenyl)pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(benzenesulfonamido)phenyl]-3-(3-carbamimidoylphenyl)pentanoate Traditional Name: 3-(3-amidinophenyl)-5-[4-(benzenesulfonamido)phenyl]valeric acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

COC(=O)CC(CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H27N3O4S/c1-32-24(29)17-20(19-6-5-7-21(16-19)25(26)27)13-10-18-11-14-22(15-12-18)28-33(30,31)23-8-3-2-4-9-23/h2-9,11-12,14-16,20,28H,10,13,17H2,1H3,(H3,26,27)