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

Systemtic Name: 2-[6-[[3-methyl-4-(methylsulfonylamino)phenyl]sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[[4-(methanesulfonamido)-3-methyl-phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[[4-(methanesulfonamido)-3-methylphenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[[4-(methanesulfonamido)-3-methylphenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[3-keto-6-[[4-(methanesulfonamido)-3-methyl-phenyl]sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid Formula: C18H19N3O8S2 MolecularWeight: 469.48876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C18H19N3O8S2/c1-11-7-12(3-5-14(11)20-30(2,25)26)19-31(27,28)13-4-6-16-15(8-13)21(9-18(23)24)17(22)10-29-16/h3-8,19-20H,9-10H2,1-2H3,(H,23,24)