2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C18H25N6O5S+ MolecularWeight: 437.4933

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O5S/c1-3-22-12-17(14(2)20-22)30(28,29)23-9-7-21(8-10-23)13-18(25)19-15-5-4-6-16(11-15)24(26)27/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,19,25)/p+1