[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-29(26,27)20-9-5-8-19(15-20)22(25)28-16-21(24)23-12-10-18(11-13-23)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3