2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)acetamide Formula: C18H22N5O5S+ MolecularWeight: 420.46278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5S/c19-29(27,28)15-5-3-4-14(12-15)20-18(24)13-21-8-10-22(11-9-21)16-6-1-2-7-17(16)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)(H2,19,27,28)/p+1