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

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H21NO5S/c1-12-6-8-17(9-7-12)15(18)11-22-16(19)13-4-3-5-14(10-13)23(2,20)21/h3-5,10,12H,6-9,11H2,1-2H3