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

Systemtic Name: (2-ethoxyphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-ethoxyphenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-ethoxyphenyl)methyl ester IUPAC Name: (2-ethoxyphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (2-ethoxybenzyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO5S/c1-3-27-21-7-5-4-6-19(21)16-28-22(24)18-12-14-23(15-13-18)29(25,26)20-10-8-17(2)9-11-20/h4-11,18H,3,12-16H2,1-2H3