(3-ethanoylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-ethanoylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-acetylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (3-acetylphenyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H25NO6S/c1-3-28-19-7-9-21(10-8-19)30(26,27)23-13-11-17(12-14-23)22(25)29-20-6-4-5-18(15-20)16(2)24/h4-10,15,17H,3,11-14H2,1-2H3