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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-fluoranylbenzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H20FN3O4S MolecularWeight: 405.443203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O4S/c1-2-3-10-23-17-9-8-15(28(21,25)26)11-16(17)22-18(23)12-27-19(24)13-4-6-14(20)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H2,21,25,26)