2-(4-cyanophenoxy)ethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid 2-(4-cyanophenoxy)ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-25(2,3)21-6-10-23(11-7-21)33(29,30)27-14-12-20(13-15-27)24(28)32-17-16-31-22-8-4-19(18-26)5-9-22/h4-11,20H,12-17H2,1-3H3