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

Systemtic Name: N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)acetamide Formula: C19H22N5O4S+ MolecularWeight: 416.47408

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4S/c25-18(20-14-6-7-16-17(12-14)22-19(26)21-16)13-23-8-10-24(11-9-23)29(27,28)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,25)(H2,21,22,26)/p+1