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

Systemtic Name: (3-methylphenyl) 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: m-tolyl 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid m-tolyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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