[1-oxidanylidene-1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]butan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-oxo-1-[4-(2-pyrimidinylsulfamoyl)anilino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]butan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[[4-(2-pyrimidylsulfamoyl)phenyl]carbamoyl]propyl ester Formula: C20H18ClN5O5S MolecularWeight: 475.90542

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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)OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O5S/c1-2-16(31-19(28)15-5-3-10-22-17(15)21)18(27)25-13-6-8-14(9-7-13)32(29,30)26-20-23-11-4-12-24-20/h3-12,16H,2H2,1H3,(H,25,27)(H,23,24,26)