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

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)acetamide Formula: C20H21N6O4S+ MolecularWeight: 441.48354

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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=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)NC(=O)N3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H20N6O4S/c21-12-14-3-1-2-4-18(14)31(29,30)26-9-7-25(8-10-26)13-19(27)22-15-5-6-16-17(11-15)24-20(28)23-16/h1-6,11H,7-10,13H2,(H,22,27)(H2,23,24,28)/p+1