(3-cyanophenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid (3-cyanobenzyl) ester Formula: C23H24N2O6S MolecularWeight: 456.51146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H24N2O6S/c1-2-30-22(26)19-6-8-21(9-7-19)32(28,29)25-12-10-20(11-13-25)23(27)31-16-18-5-3-4-17(14-18)15-24/h3-9,14,20H,2,10-13,16H2,1H3