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

Systemtic Name: 3-[3-(3,4-dichlorophenyl)-6-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]propyl methanesulfonate Openeye Name: 3-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxo-3-piperidyl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-(3,4-dichlorophenyl)-6-oxo-1-(phenylmethyl)-3-piperidinyl]propyl ester IUPAC Name: 3-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[1-benzyl-3-(3,4-dichlorophenyl)-6-keto-3-piperidyl]propyl ester Formula: C22H25Cl2NO4S MolecularWeight: 470.4092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1(CCC(=O)N(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)OCCCC1(CCC(=O)N(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H25Cl2NO4S/c1-30(27,28)29-13-5-11-22(18-8-9-19(23)20(24)14-18)12-10-21(26)25(16-22)15-17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15-16H2,1H3