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

Systemtic Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-oxidanyl-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride Openeye Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride CAS Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride IUPAC Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride Traditional Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=C3C=CC=CC3=NN2)O)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=C3C=CC=CC3=NN2)O)C4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C23H24N4O4S.ClH/c1-17-7-13-21(14-8-17)32(29,30)27(18-9-11-20(31-2)12-10-18)16-19(28)15-26-23-6-4-3-5-22(23)24-25-26;/h3-14,19,28H,15-16H2,1-2H3;1H