ethyl 2-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]acetic acid ethyl ester Formula: C16H18F6N2O4S MolecularWeight: 448.380539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H18F6N2O4S/c1-2-28-14(25)10-23-3-5-24(6-4-23)29(26,27)13-8-11(15(17,18)19)7-12(9-13)16(20,21)22/h7-9H,2-6,10H2,1H3