2-[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl]thio]nicotinic acid Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H17N3O5S2/c1-19(2)26(23,24)12-7-5-11(6-8-12)18-14(20)10-25-15-13(16(21)22)4-3-9-17-15/h3-9H,10H2,1-2H3,(H,18,20)(H,21,22)