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

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-ethanoylphenyl)thiophene-2-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid CAS Name: 5-(4-acetylphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-acetylphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thenoic acid Formula: C21H19NO5S2 MolecularWeight: 429.50926

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

InChI

InChI=1S/C21H19NO5S2/c1-12-4-9-19(13(2)10-12)29(26,27)22-17-11-18(28-20(17)21(24)25)16-7-5-15(6-8-16)14(3)23/h4-11,22H,1-3H3,(H,24,25)