2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-dimethylaminophenyl)methyleneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(Z)-[4-(dimethylamino)benzylidene]amino]acetamide Formula: C21H27BrN5O3S+ MolecularWeight: 509.43978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N\NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN5O3S/c1-25(2)19-7-3-17(4-8-19)15-23-24-21(28)16-26-11-13-27(14-12-26)31(29,30)20-9-5-18(22)6-10-20/h3-10,15H,11-14,16H2,1-2H3,(H,24,28)/p+1/b23-15-