4-(4-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-(4-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-(4-carbamimidoylphenyl)-2-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-(4-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-(4-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-(4-amidinophenyl)-2-(tosylamino)butyric acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c1-12-2-9-15(10-3-12)26(24,25)21-16(18(22)23)11-6-13-4-7-14(8-5-13)17(19)20/h2-5,7-10,16,21H,6,11H2,1H3,(H3,19,20)(H,22,23)