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

Systemtic Name: 2-[3-(3,4-dichlorophenyl)-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[1-benzyl-3-(3,4-dichlorophenyl)-2-oxo-3-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-(3,4-dichlorophenyl)-2-oxo-1-(phenylmethyl)-3-piperidinyl]ethyl ester IUPAC Name: 2-[1-benzyl-3-(3,4-dichlorophenyl)-2-oxopiperidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-benzyl-3-(3,4-dichlorophenyl)-2-keto-3-piperidyl]ethyl ester Formula: C21H23Cl2NO4S MolecularWeight: 456.38262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1(CCCN(C1=O)CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)OCCC1(CCCN(C1=O)CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO4S/c1-29(26,27)28-13-11-21(17-8-9-18(22)19(23)14-17)10-5-12-24(20(21)25)15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3