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

Systemtic Name: [1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl ester Formula: C22H23N5O5S MolecularWeight: 469.51352

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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)C)OC(=O)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5S/c1-4-19(32-21(29)16-9-11-23-12-10-16)20(28)26-17-5-7-18(8-6-17)33(30,31)27-22-24-14(2)13-15(3)25-22/h5-13,19H,4H2,1-3H3,(H,26,28)(H,24,25,27)