(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-chloranyl-5-[(4-iodophenyl)sulfamoyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-chloranyl-5-[(4-iodophenyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(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 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H14ClIN4O5S MolecularWeight: 596.78213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClIN4O5S/c22-18-10-9-15(33(30,31)25-14-7-5-13(23)6-8-14)11-17(18)21(29)32-12-27-20(28)16-3-1-2-4-19(16)24-26-27/h1-11,25H,12H2