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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-iodophenyl)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-iodophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-iodophenyl)sulfamoyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H15IN4O5S MolecularWeight: 562.33707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C21H15IN4O5S/c22-15-8-10-16(11-9-15)24-32(29,30)17-5-3-4-14(12-17)21(28)31-13-26-20(27)18-6-1-2-7-19(18)23-25-26/h1-12,24H,13H2