5-(cyclohexen-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(cyclohexen-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(cyclohexen-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid CAS Name: 5-(1-cyclohexenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(cyclohexen-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(cyclohexen-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thenoic acid Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CCCCC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CCCCC3)C(=O)O)C

InChI

InChI=1S/C19H21NO4S2/c1-12-8-9-17(13(2)10-12)26(23,24)20-15-11-16(25-18(15)19(21)22)14-6-4-3-5-7-14/h6,8-11,20H,3-5,7H2,1-2H3,(H,21,22)