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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-tert-butylphenyl)methylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-tert-butylphenyl)methyleneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(E)-(4-tert-butylbenzylidene)amino]acetamide Formula: C23H30BrN4O3S+ MolecularWeight: 522.4783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(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/C23H29BrN4O3S/c1-23(2,3)19-6-4-18(5-7-19)16-25-26-22(29)17-27-12-14-28(15-13-27)32(30,31)21-10-8-20(24)9-11-21/h4-11,16H,12-15,17H2,1-3H3,(H,26,29)/p+1/b25-16+