(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H15FN4O5S MolecularWeight: 454.431003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O5S/c22-14-9-11-15(12-10-14)32(29,30)24-19-8-4-2-6-17(19)21(28)31-13-26-20(27)16-5-1-3-7-18(16)23-25-26/h1-12,24H,13H2