3-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfamoyl]propanoic acid Openeye Name: 3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfamoyl]propanoic acid CAS Name: 3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfamoyl]propanoic acid IUPAC Name: 3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfamoyl]propanoic acid Traditional Name: 3-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)sulfamoyl]propionic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C12H14N2O6S/c1-7-12(17)13-9-6-8(2-3-10(9)20-7)14-21(18,19)5-4-11(15)16/h2-3,6-7,14H,4-5H2,1H3,(H,13,17)(H,15,16)