[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-28(25,26)19-9-7-18(8-10-19)21(24)27-15-20(23)22-13-11-17(12-14-22)16-5-3-2-4-6-16/h2-11H,12-15H2,1H3