N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N4O3S/c1-17(2,14-18)19(3)16(22)13-20-9-11-21(12-10-20)25(23,24)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3/p+1