[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C21H21F2N3O5S MolecularWeight: 465.470346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21F2N3O5S/c1-14-6-7-15(12-18(14)32(28,29)25-8-10-30-11-9-25)20(27)31-13-19-24-16-4-2-3-5-17(16)26(19)21(22)23/h2-7,12,21H,8-11,13H2,1H3