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

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-(3-bromophenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-(3-bromobenzylidene)amino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H24BrN4O3S+ MolecularWeight: 480.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C/C3=CC(=CC=C3)Br

InChI

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