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

Systemtic Name: 2-[6-[(4-butoxycarbonylphenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(4-butoxycarbonylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[[4-[butoxy(oxo)methyl]phenyl]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[(4-butoxycarbonylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-[(4-butoxycarbonylphenyl)sulfamoyl]-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8S/c1-2-3-10-30-21(27)14-4-6-15(7-5-14)22-32(28,29)16-8-9-18-17(11-16)23(12-20(25)26)19(24)13-31-18/h4-9,11,22H,2-3,10,12-13H2,1H3,(H,25,26)