2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)acetamide Formula: C19H21BrN5O4S+ MolecularWeight: 495.37014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)NC(=O)N3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)NC(=O)N3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H20BrN5O4S/c20-13-1-4-15(5-2-13)30(28,29)25-9-7-24(8-10-25)12-18(26)21-14-3-6-16-17(11-14)23-19(27)22-16/h1-6,11H,7-10,12H2,(H,21,26)(H2,22,23,27)/p+1