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

Systemtic Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-oxidanyl-propyl]-N-(4-methoxyphenyl)benzenesulfonamide chloride Openeye Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)benzenesulfonamide chloride CAS Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide chloride IUPAC Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide chloride Traditional Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)benzenesulfonamide chloride Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(C[N+]2=C3C=CC=CC3=NN2)O)S(=O)(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(C[N+]2=C3C=CC=CC3=NN2)O)S(=O)(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H22N4O4S.ClH/c1-30-19-13-11-17(12-14-19)26(31(28,29)20-7-3-2-4-8-20)16-18(27)15-25-22-10-6-5-9-21(22)23-24-25;/h2-14,18,27H,15-16H2,1H3;1H