[4-cyano-1-(3,4-dichlorophenyl)carbonyl-piperidin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-cyano-1-(3,4-dichlorophenyl)carbonyl-piperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-cyano-1-(3,4-dichlorobenzoyl)-4-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-cyano-1-[(3,4-dichlorophenyl)-oxomethyl]-4-piperidinyl]methyl ester IUPAC Name: [4-cyano-1-(3,4-dichlorobenzoyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-cyano-1-(3,4-dichlorobenzoyl)-4-piperidyl]methyl ester Formula: C21H20Cl2N2O4S MolecularWeight: 467.3655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C21H20Cl2N2O4S/c1-15-2-5-17(6-3-15)30(27,28)29-14-21(13-24)8-10-25(11-9-21)20(26)16-4-7-18(22)19(23)12-16/h2-7,12H,8-11,14H2,1H3