2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-3-pyridylmethyleneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(Z)-3-pyridinylmethylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(Z)-3-pyridylmethyleneamino]acetamide Formula: C18H21BrN5O3S+ MolecularWeight: 467.36004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN5O3S/c19-16-3-5-17(6-4-16)28(26,27)24-10-8-23(9-11-24)14-18(25)22-21-13-15-2-1-7-20-12-15/h1-7,12-13H,8-11,14H2,(H,22,25)/p+1/b21-13-