N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-N'-propan-2-yl-ethanediamide

Systemtic Name: N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N'-isopropyl-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-N'-propan-2-yloxamide Traditional Name: N'-isopropyl-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)NC(=O)C(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H28N4O4S/c1-16(2)23-21(27)20(26)22-9-10-24-11-13-25(14-12-24)30(28,29)19-8-7-17-5-3-4-6-18(17)15-19/h3-8,15-16H,9-14H2,1-2H3,(H,22,26)(H,23,27)/p+1