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

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-methylsulfonylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-mesylphenyl)-2-thenoic acid Formula: C20H19NO6S3 MolecularWeight: 465.56296

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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)S(=O)(=O)C)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S3/c1-12-4-9-18(13(2)10-12)30(26,27)21-16-11-17(28-19(16)20(22)23)14-5-7-15(8-6-14)29(3,24)25/h4-11,21H,1-3H3,(H,22,23)