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

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]isonipecotamide Formula: C25H31N4O4S+ MolecularWeight: 483.60304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H30N4O4S/c26-17-20-5-7-24(8-6-20)34(31,32)29-11-9-21(10-12-29)25(30)27-18-22-3-1-2-4-23(22)19-28-13-15-33-16-14-28/h1-8,21H,9-16,18-19H2,(H,27,30)/p+1