phenacyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-2-28-19-8-10-20(11-9-19)30(26,27)23-14-12-18(13-15-23)22(25)29-16-21(24)17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3