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

Systemtic Name: 2-[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl]thio]nicotinic acid Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-11-6-7-12(27(24,25)20(2)3)9-14(11)19-15(21)10-26-16-13(17(22)23)5-4-8-18-16/h4-9H,10H2,1-3H3,(H,19,21)(H,22,23)