2-[1-[2-[3,5-bis(trifluoromethyl)phenyl]ethanoyl]-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-[2-[3,5-bis(trifluoromethyl)phenyl]ethanoyl]-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-3-(3,4-dichlorophenyl)-3-piperidyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-1-oxoethyl]-3-(3,4-dichlorophenyl)-3-piperidinyl]ethyl ester IUPAC Name: 2-[1-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-3-(3,4-dichlorophenyl)-3-piperidyl]ethyl ester Formula: C30H27Cl2F6NO4S MolecularWeight: 682.501099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCCN(C2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCCN(C2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C30H27Cl2F6NO4S/c1-19-3-6-24(7-4-19)44(41,42)43-12-10-28(21-5-8-25(31)26(32)17-21)9-2-11-39(18-28)27(40)15-20-13-22(29(33,34)35)16-23(14-20)30(36,37)38/h3-8,13-14,16-17H,2,9-12,15,18H2,1H3