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

Systemtic Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-oxidanyl-propyl]-N-(4-methylphenyl)benzenesulfonamide chloride Openeye Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(p-tolyl)benzenesulfonamide chloride CAS Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride IUPAC Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride Traditional Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(p-tolyl)benzenesulfonamide chloride Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=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/C22H22N4O3S.ClH/c1-17-11-13-18(14-12-17)26(30(28,29)20-7-3-2-4-8-20)16-19(27)15-25-22-10-6-5-9-21(22)23-24-25;/h2-14,19,27H,15-16H2,1H3;1H