1-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]-2-phenoxy-propan-1-one Formula: C20H20ClF3N2O4S MolecularWeight: 476.89701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C20H20ClF3N2O4S/c1-14(30-16-5-3-2-4-6-16)19(27)25-9-11-26(12-10-25)31(28,29)18-13-15(20(22,23)24)7-8-17(18)21/h2-8,13-14H,9-12H2,1H3