[(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] pyridine-3-carboxylate Openeye Name: [(1S)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1S)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CN=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H21N3O5S/c1-12(2)21-27(24,25)16-8-6-15(7-9-16)20-17(22)13(3)26-18(23)14-5-4-10-19-11-14/h4-13,21H,1-3H3,(H,20,22)/t13-/m0/s1