4-(1H-benzimidazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-(1H-benzimidazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-(1H-benzimidazol-2-yl)-2-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-(1H-benzimidazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-(1H-benzimidazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-(1H-benzimidazol-2-yl)-2-(tosylamino)butyric acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC2=NC3=CC=CC=C3N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC2=NC3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C18H19N3O4S/c1-12-6-8-13(9-7-12)26(24,25)21-16(18(22)23)10-11-17-19-14-4-2-3-5-15(14)20-17/h2-9,16,21H,10-11H2,1H3,(H,19,20)(H,22,23)