2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Formula: C21H27FN5O4S2+ MolecularWeight: 496.598583

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN5O4S2/c1-25(2)32(28,29)18-8-9-19-20(14-18)24-21(23-19)15-26-10-3-11-27(13-12-26)33(30,31)17-6-4-16(22)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,24)/p+1