(3-methylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: m-tolylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (3-methylbenzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO5S/c1-16-4-3-5-17(14-16)15-27-21(23)18-10-12-22(13-11-18)28(24,25)20-8-6-19(26-2)7-9-20/h3-9,14,18H,10-13,15H2,1-2H3