(2,6-dimethylphenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (2,6-dimethylphenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-15-8-9-20(14-18(15)4)28(25,26)23-12-10-19(11-13-23)22(24)27-21-16(2)6-5-7-17(21)3/h5-9,14,19H,10-13H2,1-4H3