methyl 4-[[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]benzoate Openeye Name: methyl 4-[[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonylamino]methyl]benzoic acid methyl ester Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C17H15ClN2O6S/c1-25-17(22)11-4-2-10(3-5-11)8-19-27(23,24)15-7-14-13(6-12(15)18)20-16(21)9-26-14/h2-7,19H,8-9H2,1H3,(H,20,21)