1-(2-cyanophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isonipecotamide Formula: C25H32N5O3S+ MolecularWeight: 482.61828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H31N5O3S/c26-20-22-6-4-5-9-24(22)34(32,33)30-13-10-21(11-14-30)25(31)27-12-15-28-16-18-29(19-17-28)23-7-2-1-3-8-23/h1-9,21H,10-19H2,(H,27,31)/p+1