N-(4-chloranyl-3-nitro-phenyl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C20H22ClN4O6S+ MolecularWeight: 481.92988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O6S/c1-14(26)15-2-5-17(6-3-15)32(30,31)24-10-8-23(9-11-24)13-20(27)22-16-4-7-18(21)19(12-16)25(28)29/h2-7,12H,8-11,13H2,1H3,(H,22,27)/p+1