1-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]azepan-4-ol

Systemtic Name: 1-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]azepan-4-ol Openeye Name: 1-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]azepan-4-ol CAS Name: 1-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]-4-azepanol IUPAC Name: 1-methylsulfonyl-5-[4-(trifluoromethyl)phenoxy]azepan-4-ol Traditional Name: 1-mesyl-5-[4-(trifluoromethyl)phenoxy]azepan-4-ol Formula: C14H18F3NO4S MolecularWeight: 353.35723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C(CC1)OC2=CC=C(C=C2)C(F)(F)F)O

Isomeric SMILES

CS(=O)(=O)N1CCC(C(CC1)OC2=CC=C(C=C2)C(F)(F)F)O

InChI

InChI=1S/C14H18F3NO4S/c1-23(20,21)18-8-6-12(19)13(7-9-18)22-11-4-2-10(3-5-11)14(15,16)17/h2-5,12-13,19H,6-9H2,1H3