2-(4-cyanophenoxy)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid 2-(4-cyanophenoxy)ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C24H28N2O5S/c1-17-14-18(2)23(19(3)15-17)32(28,29)26-10-8-21(9-11-26)24(27)31-13-12-30-22-6-4-20(16-25)5-7-22/h4-7,14-15,21H,8-13H2,1-3H3