N,N-diethyl-2-[4-[1-(phenylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[1-(phenylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(1-besylisonipecotoyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C22H35N4O4S+ MolecularWeight: 451.6027

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H34N4O4S/c1-3-24(4-2)21(27)18-23-14-16-25(17-15-23)22(28)19-10-12-26(13-11-19)31(29,30)20-8-6-5-7-9-20/h5-9,19H,3-4,10-18H2,1-2H3/p+1