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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)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-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H17ClN4O5S MolecularWeight: 484.91218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C22H17ClN4O5S/c23-18-11-10-16(12-20(18)33(30,31)24-13-15-6-2-1-3-7-15)22(29)32-14-27-21(28)17-8-4-5-9-19(17)25-26-27/h1-12,24H,13-14H2