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

Systemtic Name: N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-isopropyl-oxamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide Traditional Name: N-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]-N'-isopropyl-oxamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S/c1-14(2)19-17(23)16(22)18-8-9-20-10-12-21(13-11-20)26(24,25)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,18,22)(H,19,23)/p+1