(4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-15-2-8-19(9-3-15)29(26,27)21-12-10-17(11-13-21)20(23)28-14-16-4-6-18(7-5-16)22(24)25/h2-9,17H,10-14H2,1H3