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

Systemtic Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-oxidanyl-propyl]-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)benzenesulfonamide Formula: C22H23N4O4S+ MolecularWeight: 439.50742

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/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/p+1