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

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-5-(4-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-5-(4-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-5-(4-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-5-(4-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-5-(4-nitrophenyl)-2-thenoic acid Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H16N2O6S2/c1-11-3-4-12(2)17(9-11)29(26,27)20-15-10-16(28-18(15)19(22)23)13-5-7-14(8-6-13)21(24)25/h3-10,20H,1-2H3,(H,22,23)