(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-fluoranyl-4-methyl-benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H22FN3O4S MolecularWeight: 419.469783

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O4S/c1-3-4-9-24-18-8-7-15(29(22,26)27)11-17(18)23-19(24)12-28-20(25)14-6-5-13(2)16(21)10-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,22,26,27)