1-(4-cyanophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)isonipecotamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H28N4O4S/c21-16-17-2-4-19(5-3-17)29(26,27)24-10-6-18(7-11-24)20(25)22-8-1-9-23-12-14-28-15-13-23/h2-5,18H,1,6-15H2,(H,22,25)/p+1