[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24ClNO3S/c1-28-18-7-8-20(23)19(14-18)22(26)27-15-21(25)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3