2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: 2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O5S/c1-4-17-16(21)11-18-5-7-19(8-6-18)26(24,25)15-10-14(20(22)23)9-12(2)13(15)3/h9-10H,4-8,11H2,1-3H3,(H,17,21)/p+1