[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N2O7S/c1-15-10-16(2)13-23(12-15)32(29,30)20-5-3-4-18(11-20)22(26)31-14-21(25)17-6-8-19(9-7-17)24(27)28/h3-9,11,15-16H,10,12-14H2,1-2H3/t15-,16-/m1/s1