[1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl ester Formula: C21H20ClN5O5S MolecularWeight: 489.932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C)OC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C)OC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C21H20ClN5O5S/c1-3-17(32-20(29)14-9-11-23-18(22)12-14)19(28)26-15-4-6-16(7-5-15)33(30,31)27-21-24-10-8-13(2)25-21/h4-12,17H,3H2,1-2H3,(H,26,28)(H,24,25,27)