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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-p-tolylmethyleneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(E)-(4-methylbenzylidene)amino]acetamide Formula: C20H24BrN4O3S+ MolecularWeight: 480.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O3S/c1-16-2-4-17(5-3-16)14-22-23-20(26)15-24-10-12-25(13-11-24)29(27,28)19-8-6-18(21)7-9-19/h2-9,14H,10-13,15H2,1H3,(H,23,26)/p+1/b22-14+