(4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-tosylpipecolinic acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-15-5-11-18(12-6-15)29(26,27)21-13-3-2-4-19(21)20(23)28-14-16-7-9-17(10-8-16)22(24)25/h5-12,19H,2-4,13-14H2,1H3