[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C21H21F2N3O4S MolecularWeight: 449.470946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C21H21F2N3O4S/c1-14-8-9-15(31(28,29)25-10-4-5-11-25)12-16(14)20(27)30-13-19-24-17-6-2-3-7-18(17)26(19)21(22)23/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3