(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-methylsulfonylbenzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-methylsulfonylbenzoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO5S/c1-28(25,26)18-13-7-6-12-17(18)21(24)27-19(16-10-4-2-5-11-16)20(23)22-14-8-3-9-15-22/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3