1-(2-cyanophenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]isonipecotamide Formula: C24H35N4O4S+ MolecularWeight: 475.6241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)[NH+]4CCOCC4

InChI

InChI=1S/C24H34N4O4S/c25-18-21-6-2-3-7-22(21)33(30,31)28-12-8-20(9-13-28)23(29)26-19-24(10-4-1-5-11-24)27-14-16-32-17-15-27/h2-3,6-7,20H,1,4-5,8-17,19H2,(H,26,29)/p+1