1-[3-(3,4-dichlorophenyl)-6-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethyl methanesulfonate

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-6-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethyl methanesulfonate Openeye Name: 1-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxo-3-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 1-[3-(3,4-dichlorophenyl)-6-oxo-1-(phenylmethyl)-3-piperidinyl]ethyl ester IUPAC Name: 1-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 1-[1-benzyl-3-(3,4-dichlorophenyl)-6-keto-3-piperidyl]ethyl ester Formula: C21H23Cl2NO4S MolecularWeight: 456.38262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2NO4S/c1-15(28-29(2,26)27)21(17-8-9-18(22)19(23)12-17)11-10-20(25)24(14-21)13-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3