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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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