(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-(trifluoromethyl)benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-(trifluoromethyl)benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O4S/c1-2-3-10-26-17-9-8-15(31(24,28)29)11-16(17)25-18(26)12-30-19(27)13-4-6-14(7-5-13)20(21,22)23/h4-9,11H,2-3,10,12H2,1H3,(H2,24,28,29)