2-[6-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[[3-(2-methyl-4-pyrimidinyl)phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[3-keto-6-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4CC(=O)O

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4CC(=O)O

InChI

InChI=1S/C21H18N4O6S/c1-13-22-8-7-17(23-13)14-3-2-4-15(9-14)24-32(29,30)16-5-6-19-18(10-16)25(11-21(27)28)20(26)12-31-19/h2-10,24H,11-12H2,1H3,(H,27,28)