N-(2-cyanoethyl)-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c22-12-7-13-25(19-8-3-1-4-9-19)21(26)18-23-14-16-24(17-15-23)29(27,28)20-10-5-2-6-11-20/h1-6,8-11H,7,13-18H2/p+1