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

Systemtic Name: (4-ethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (4-ethylphenyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

InChI

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