(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H18N4O6S/c1-31-17-11-9-16(10-12-17)24-33(29,30)18-6-4-5-15(13-18)22(28)32-14-26-21(27)19-7-2-3-8-20(19)23-25-26/h2-13,24H,14H2,1H3