[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O7S/c1-11(15(19)17-8-4-3-5-9-17)25-16(20)12-6-7-14(26(2,23)24)13(10-12)18(21)22/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m1/s1