(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C15H18N2O7S MolecularWeight: 370.37762

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O7S/c1-25(22,23)13-6-5-11(9-12(13)17(20)21)15(19)24-10-14(18)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3