(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H22FN5O4S MolecularWeight: 471.504583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5O4S/c1-2-3-10-28-20-9-8-16(33(24,30)31)11-18(20)25-21(28)13-32-22(29)19-12-17(26-27-19)14-4-6-15(23)7-5-14/h4-9,11-12H,2-3,10,13H2,1H3,(H,26,27)(H2,24,30,31)