1-[3-(3,4-dichlorophenyl)-1-(2-phenylethanoyl)piperidin-3-yl]ethyl methanesulfonate

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-1-(2-phenylethanoyl)piperidin-3-yl]ethyl methanesulfonate Openeye Name: 1-[3-(3,4-dichlorophenyl)-1-(2-phenylacetyl)-3-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 1-[3-(3,4-dichlorophenyl)-1-(1-oxo-2-phenylethyl)-3-piperidinyl]ethyl ester IUPAC Name: 1-[3-(3,4-dichlorophenyl)-1-(2-phenylacetyl)piperidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 1-[3-(3,4-dichlorophenyl)-1-(2-phenylacetyl)-3-piperidyl]ethyl ester Formula: C22H25Cl2NO4S MolecularWeight: 470.4092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCN(C1)C(=O)CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)C

Isomeric SMILES

CC(C1(CCCN(C1)C(=O)CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)C

InChI

InChI=1S/C22H25Cl2NO4S/c1-16(29-30(2,27)28)22(18-9-10-19(23)20(24)14-18)11-6-12-25(15-22)21(26)13-17-7-4-3-5-8-17/h3-5,7-10,14,16H,6,11-13,15H2,1-2H3