(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H15N3O6S/c24-19-16-8-4-5-9-17(16)21-22-23(19)13-28-20(25)18-11-10-14(29-18)12-30(26,27)15-6-2-1-3-7-15/h1-11H,12-13H2