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

Systemtic Name: ethyl 4-[(6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]benzoate Openeye Name: ethyl 4-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]benzoate CAS Name: 4-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]benzoate Traditional Name: 4-[(6-bromo-3-keto-4H-1,4-benzoxazin-7-yl)sulfonylamino]benzoic acid ethyl ester Formula: C17H15BrN2O6S MolecularWeight: 455.2798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br

InChI

InChI=1S/C17H15BrN2O6S/c1-2-25-17(22)10-3-5-11(6-4-10)20-27(23,24)15-8-14-13(7-12(15)18)19-16(21)9-26-14/h3-8,20H,2,9H2,1H3,(H,19,21)