(3-nitrophenyl)methyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (3-nitrophenyl)methyl 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid (3-nitrobenzyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O6S/c1-15-10-16(2)13-22(12-15)30(27,28)20-8-6-18(7-9-20)21(24)29-14-17-4-3-5-19(11-17)23(25)26/h3-9,11,15-16H,10,12-14H2,1-2H3/t15-,16-/m0/s1