3-[(2-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 5-(3-nitrophenyl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 3-[(2-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 5-(3-nitrophenyl)-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C18H14N2O6S2 MolecularWeight: 418.44356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H14N2O6S2/c1-11-5-2-3-8-16(11)28(25,26)19-14-10-15(27-17(14)18(21)22)12-6-4-7-13(9-12)20(23)24/h2-10,19H,1H3,(H,21,22)