(4-phenoxyphenyl)methyl 1-(3-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (4-phenoxyphenyl)methyl 1-(3-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (4-phenoxyphenyl)methyl 1-(m-tolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(3-methylphenyl)sulfonyl-2-piperidinecarboxylic acid (4-phenoxyphenyl)methyl ester IUPAC Name: (4-phenoxyphenyl)methyl 1-(3-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(m-tolylsulfonyl)pipecolinic acid (4-phenoxybenzyl) ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H27NO5S/c1-20-8-7-11-24(18-20)33(29,30)27-17-6-5-12-25(27)26(28)31-19-21-13-15-23(16-14-21)32-22-9-3-2-4-10-22/h2-4,7-11,13-16,18,25H,5-6,12,17,19H2,1H3