1-(4-cyanophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

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