(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N3O5S/c1-25(22,23)12-6-4-5-11(9-12)16(21)24-10-19-15(20)13-7-2-3-8-14(13)17-18-19/h2-9H,10H2,1H3