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

Systemtic Name: [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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)SC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S2/c1-25(2)32(28,29)18-11-6-8-16(14-18)24-20(26)15-30-22(27)19-12-7-13-23-21(19)31-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,24,26)