[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C20H21BrFN3O4S MolecularWeight: 498.365843

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=C(C=CC(=C3)F)Br

InChI

InChI=1S/C20H21BrFN3O4S/c1-4-9-25-18-8-6-14(30(27,28)24(2)3)11-17(18)23-19(25)12-29-20(26)15-10-13(22)5-7-16(15)21/h5-8,10-11H,4,9,12H2,1-3H3