2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C19H21BrN5O5S+ MolecularWeight: 511.36954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O5S/c20-16-4-6-18(7-5-16)31(29,30)24-10-8-23(9-11-24)14-19(26)22-21-13-15-2-1-3-17(12-15)25(27)28/h1-7,12-13H,8-11,14H2,(H,22,26)/p+1/b21-13+