[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H22N4O6S2/c1-14-11-16(24-31-14)13-32-20-18(5-4-10-22-20)21(27)30-12-19(26)23-15-6-8-17(9-7-15)33(28,29)25(2)3/h4-11H,12-13H2,1-3H3,(H,23,26)