N'-phenyl-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-phenyl-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]-N'-phenyl-oxamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c25-19(20(26)22-17-7-3-1-4-8-17)21-11-12-23-13-15-24(16-14-23)29(27,28)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,25)(H,22,26)/p+1