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

Systemtic Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride Openeye Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride CAS Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride IUPAC Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride Traditional Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=CNC3=CC=CC=C32)O)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=CNC3=CC=CC=C32)O)C4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C24H25N3O4S.ClH/c1-18-7-13-22(14-8-18)32(29,30)27(19-9-11-21(31-2)12-10-19)16-20(28)15-26-17-25-23-5-3-4-6-24(23)26;/h3-14,17,20,28H,15-16H2,1-2H3;1H