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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5S/c1-30(27,28)18-7-8-20(23)19(14-18)22(26)29-15-21(25)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3