[2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

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