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

Systemtic Name: 2-[6-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[[2-methyl-3-(1-oxopropylamino)phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[3-keto-6-[(2-methyl-3-propionamido-phenyl)sulfamoyl]-1,4-benzoxazin-4-yl]acetic acid Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)C

InChI

InChI=1S/C20H21N3O7S/c1-3-18(24)21-14-5-4-6-15(12(14)2)22-31(28,29)13-7-8-17-16(9-13)23(10-20(26)27)19(25)11-30-17/h4-9,22H,3,10-11H2,1-2H3,(H,21,24)(H,26,27)