(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3,5-bis(fluoranyl)benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3,5-bis(fluoranyl)benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H21F2N3O5S MolecularWeight: 465.470346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=CC(=C4)F)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C21H21F2N3O5S/c1-2-26-19-4-3-17(32(28,29)25-5-7-30-8-6-25)12-18(19)24-20(26)13-31-21(27)14-9-15(22)11-16(23)10-14/h3-4,9-12H,2,5-8,13H2,1H3