N-(4-methoxyphenyl)-4-methyl-N-[3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide chloride

Systemtic Name: N-(4-methoxyphenyl)-4-methyl-N-[3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide chloride Openeye Name: N-[2-hydroxy-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride IUPAC Name: N-[2-hydroxy-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride Traditional Name: N-[2-hydroxy-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride Formula: C25H28ClN3O4S MolecularWeight: 502.02552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=C(NC3=CC=CC=C32)C)O)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=C(NC3=CC=CC=C32)C)O)C4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C25H27N3O4S.ClH/c1-18-8-14-23(15-9-18)33(30,31)28(20-10-12-22(32-3)13-11-20)17-21(29)16-27-19(2)26-24-6-4-5-7-25(24)27;/h4-15,21,29H,16-17H2,1-3H3;1H