2-[2-[(2-methyl-5-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2-methyl-5-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-methyl-5-sulfamoyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-methyl-5-sulfamoylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-methyl-5-sulfamoylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(2-methyl-5-sulfamoyl-anilino)ethyl]thio]nicotinic acid Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H15N3O5S2/c1-9-4-5-10(25(16,22)23)7-12(9)18-13(19)8-24-14-11(15(20)21)3-2-6-17-14/h2-7H,8H2,1H3,(H,18,19)(H,20,21)(H2,16,22,23)