N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]isonipecotamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-25-15-17-26(18-16-25)21-9-7-20(8-10-21)24-23(28)19-11-13-27(14-12-19)31(29,30)22-5-3-2-4-6-22/h2-10,19H,11-18H2,1H3,(H,24,28)/p+1