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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C18H20ClN4O5S+ MolecularWeight: 439.8932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4O5S/c19-16-7-6-14(12-17(16)23(25)26)20-18(24)13-21-8-10-22(11-9-21)29(27,28)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,24)/p+1