3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C21H25FN5O4S+ MolecularWeight: 462.517703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C21H24FN5O4S/c22-15-2-5-17(6-3-15)32(30,31)27-10-1-9-26(12-13-27)11-8-20(28)23-16-4-7-18-19(14-16)25-21(29)24-18/h2-7,14H,1,8-13H2,(H,23,28)(H2,24,25,29)/p+1