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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[4-(methylsulfonylamino)phenyl]pentanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[4-(methanesulfonamido)phenyl]pentanoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[4-(methanesulfonamido)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[4-(methanesulfonamido)phenyl]pentanoate Traditional Name: 3-(3-amidinophenyl)-5-[4-(methanesulfonamido)phenyl]valeric acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-27-19(24)13-16(15-4-3-5-17(12-15)20(21)22)9-6-14-7-10-18(11-8-14)23-28(2,25)26/h3-5,7-8,10-12,16,23H,6,9,13H2,1-2H3,(H3,21,22)