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

Systemtic Name: (4-nitrophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-nitrophenyl)methyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (4-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=CC(=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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