4-[[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]methyl]benzoic acid CAS Name: 4-[[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]methyl]benzoic acid Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N2O6S/c19-15-9-24-14-6-5-12(7-13(14)18-15)25(22,23)17-8-10-1-3-11(4-2-10)16(20)21/h1-7,17H,8-9H2,(H,18,19)(H,20,21)