1-oxidanyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]sulfonyl-azepan-2-one

Systemtic Name: 1-oxidanyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]sulfonyl-azepan-2-one Openeye Name: 1-hydroxy-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-azepan-2-one CAS Name: 1-hydroxy-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-2-azepanone IUPAC Name: 1-hydroxy-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylazepan-2-one Traditional Name: 1-hydroxy-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-azepan-2-one Formula: C19H18F3NO6S MolecularWeight: 445.40953

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F)O

Isomeric SMILES

C1CCN(C(=O)C(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F)O

InChI

InChI=1S/C19H18F3NO6S/c20-19(21,22)29-15-6-4-13(5-7-15)28-14-8-10-16(11-9-14)30(26,27)17-3-1-2-12-23(25)18(17)24/h4-11,17,25H,1-3,12H2