(3,4-dimethylphenyl) 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,4-dimethylphenyl) 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid (3,4-dimethylphenyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-15-7-8-20(13-16(15)2)28-22(25)18-9-11-23(12-10-18)29(26,27)21-6-4-5-19(14-21)17(3)24/h4-8,13-14,18H,9-12H2,1-3H3