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

Systemtic Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H26BrN4O3S+ MolecularWeight: 494.42514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O3S/c1-16-3-9-20(10-4-16)30(28,29)26-13-11-25(12-14-26)15-21(27)24-23-17(2)18-5-7-19(22)8-6-18/h3-10H,11-15H2,1-2H3,(H,24,27)/p+1/b23-17+