N-(4-methoxyphenyl)-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(4-methoxyphenyl)-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C22H17N5O5S2 MolecularWeight: 495.53088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H17N5O5S2/c1-31-15-8-6-14(7-9-15)25-34(29,30)16-10-11-20-19(12-16)23-22(32-20)33-13-27-21(28)17-4-2-3-5-18(17)24-26-27/h2-12,25H,13H2,1H3