[2-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-21(2)16-8-7-14(28(25,26)22(3)4)10-15(16)20-17(23)12-27-18(24)13-6-5-9-19-11-13/h5-11H,12H2,1-4H3,(H,20,23)