2-[4-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-(diethylsulfamoyl)-2-nitrophenyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[4-(diethylsulfamoyl)-2-nitrophenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[4-(diethylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide Formula: C23H32N5O5S+ MolecularWeight: 490.59568

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O5S/c1-3-27(4-2)34(32,33)20-10-11-21(22(16-20)28(30)31)26-14-12-25(13-15-26)18-23(29)24-17-19-8-6-5-7-9-19/h5-11,16H,3-4,12-15,17-18H2,1-2H3,(H,24,29)/p+1