2-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chlorophenyl)-2-ethanoyl-piperidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chlorophenyl)-2-ethanoyl-piperidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[2-acetyl-1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chlorophenyl)-3-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-acetyl-1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chlorophenyl)-3-piperidinyl]ethyl ester IUPAC Name: 2-[2-acetyl-1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chlorophenyl)piperidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-acetyl-1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chlorophenyl)-3-piperidyl]ethyl ester Formula: C24H24ClF6NO4S MolecularWeight: 571.960079

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CCCN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(CCOS(=O)(=O)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1C(CCCN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(CCOS(=O)(=O)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H24ClF6NO4S/c1-15(33)21-22(8-10-36-37(2,34)35,16-5-3-6-19(25)12-16)7-4-9-32(21)20-13-17(23(26,27)28)11-18(14-20)24(29,30)31/h3,5-6,11-14,21H,4,7-10H2,1-2H3