(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloranyl-6-fluoranyl-benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H19ClFN3O4S MolecularWeight: 439.888263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H19ClFN3O4S/c1-2-3-9-24-16-8-7-12(29(22,26)27)10-15(16)23-17(24)11-28-19(25)18-13(20)5-4-6-14(18)21/h4-8,10H,2-3,9,11H2,1H3,(H2,22,26,27)