[1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic 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] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl ester Formula: C23H22N6O5S MolecularWeight: 494.52298

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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=CC4=C(C=C3)N=CN4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C)OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C23H22N6O5S/c1-3-20(34-22(31)15-4-9-18-19(12-15)26-13-25-18)21(30)28-16-5-7-17(8-6-16)35(32,33)29-23-24-11-10-14(2)27-23/h4-13,20H,3H2,1-2H3,(H,25,26)(H,28,30)(H,24,27,29)