2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-2-3-6-9-18-17(22)14-19-10-12-20(13-11-19)27(25,26)16-8-5-4-7-15(16)21(23)24/h4-5,7-8H,2-3,6,9-14H2,1H3,(H,18,22)/p+1