N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N3O4S/c1-25(2,3)21-6-8-22(9-7-21)32-17-14-27-24(29)20-12-15-28(16-13-20)33(30,31)23-10-4-19(18-26)5-11-23/h4-11,20H,12-17H2,1-3H3,(H,27,29)