[1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H21N3O5S/c1-12-7-8-15(27(24,25)21(3)4)10-16(12)20-17(22)13(2)26-18(23)14-6-5-9-19-11-14/h5-11,13H,1-4H3,(H,20,22)