(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-methylsulfonylbenzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-methylsulfonylbenzoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-methylsulfonylbenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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