[1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C21H21N5O5S/c1-13-12-14(2)24-21(23-13)26-32(29,30)18-6-4-17(5-7-18)25-19(27)15(3)31-20(28)16-8-10-22-11-9-16/h4-12,15H,1-3H3,(H,25,27)(H,23,24,26)