N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H20BrN4O5S+ MolecularWeight: 484.3442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O5S/c19-14-5-7-15(8-6-14)20-18(24)13-21-9-11-22(12-10-21)29(27,28)17-4-2-1-3-16(17)23(25)26/h1-8H,9-13H2,(H,20,24)/p+1