5-(4-carboxyphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-carboxyphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-carboxyphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid CAS Name: 5-(4-carboxyphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-carboxyphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-carboxyphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thenoic acid Formula: C20H17NO6S2 MolecularWeight: 431.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C20H17NO6S2/c1-11-3-8-17(12(2)9-11)29(26,27)21-15-10-16(28-18(15)20(24)25)13-4-6-14(7-5-13)19(22)23/h3-10,21H,1-2H3,(H,22,23)(H,24,25)