(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-butanoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-butanoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 4,4,4-trifluoro-3-hydroxy-3-methyl-butanoate CAS Name: 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate Traditional Name: 4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C19H24F3N3O6S MolecularWeight: 479.47057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24F3N3O6S/c1-3-25-15-5-4-13(32(28,29)24-6-8-30-9-7-24)10-14(15)23-16(25)12-31-17(26)11-18(2,27)19(20,21)22/h4-5,10,27H,3,6-9,11-12H2,1-2H3