(2,3,6-trimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-15-5-6-16(2)21(17(15)3)28-22(24)18-11-13-23(14-12-18)29(25,26)20-9-7-19(27-4)8-10-20/h5-10,18H,11-14H2,1-4H3