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

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H30N4O3S/c26-17-23-5-1-2-6-24(23)33(31,32)29-15-11-22(12-16-29)25(30)27-18-20-7-9-21(10-8-20)19-28-13-3-4-14-28/h1-2,5-10,22H,3-4,11-16,18-19H2,(H,27,30)/p+1