tert-butyl N-[3-oxidanyl-4-[4-(trifluoromethyl)phenoxy]butyl]sulfonylcarbamate

Systemtic Name: tert-butyl N-[3-oxidanyl-4-[4-(trifluoromethyl)phenoxy]butyl]sulfonylcarbamate Openeye Name: tert-butyl N-[3-hydroxy-4-[4-(trifluoromethyl)phenoxy]butyl]sulfonylcarbamate CAS Name: N-[3-hydroxy-4-[4-(trifluoromethyl)phenoxy]butyl]sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-hydroxy-4-[4-(trifluoromethyl)phenoxy]butyl]sulfonylcarbamate Traditional Name: N-[3-hydroxy-4-[4-(trifluoromethyl)phenoxy]butyl]sulfonylcarbamic acid tert-butyl ester Formula: C16H22F3NO6S MolecularWeight: 413.40919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NS(=O)(=O)CCC(COC1=CC=C(C=C1)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)NS(=O)(=O)CCC(COC1=CC=C(C=C1)C(F)(F)F)O

InChI

InChI=1S/C16H22F3NO6S/c1-15(2,3)26-14(22)20-27(23,24)9-8-12(21)10-25-13-6-4-11(5-7-13)16(17,18)19/h4-7,12,21H,8-10H2,1-3H3,(H,20,22)