(4-methylphenyl) 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methylphenyl) 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: p-tolyl 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid p-tolyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-16(2)18-6-10-21(11-7-18)28(25,26)23-14-12-19(13-15-23)22(24)27-20-8-4-17(3)5-9-20/h4-11,16,19H,12-15H2,1-3H3