2-[[4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfinyl]ethyl benzoate

Systemtic Name: 2-[[4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfinyl]ethyl benzoate Openeye Name: 2-[[4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylsulfinyl]ethyl benzoate CAS Name: benzoic acid 2-[[4-(4-chlorophenyl)-1-methyl-3-piperidinyl]methylsulfinyl]ethyl ester IUPAC Name: 2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylsulfinyl]ethyl ester Formula: C22H26ClNO3S MolecularWeight: 419.96474

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)CS(=O)CCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCC(C(C1)CS(=O)CCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO3S/c1-24-12-11-21(17-7-9-20(23)10-8-17)19(15-24)16-28(26)14-13-27-22(25)18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3