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

Systemtic Name: N,N-dimethyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]-3H-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: N,N-dimethyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3H-benzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]-3H-benzimidazole-5-sulfonamide Formula: C22H30N5O4S2+ MolecularWeight: 492.6347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H29N5O4S2/c1-17-5-7-18(8-6-17)33(30,31)27-12-4-11-26(13-14-27)16-22-23-20-10-9-19(15-21(20)24-22)32(28,29)25(2)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,24)/p+1