2-[2-[(6-methyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[2-[(6-methyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-[2-[(6-methyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxo-propanoic acid CAS Name: 2-[2-[(6-methyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxopropanoic acid IUPAC Name: 2-[2-[(6-methyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-2-[2-[(6-methyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]propionic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC=C3C(C=O)C(=O)O)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC=C3C(C=O)C(=O)O)OCO2

InChI

InChI=1S/C17H15NO7S/c1-10-6-14-15(25-9-24-14)7-13(10)18-26(22,23)16-5-3-2-4-11(16)12(8-19)17(20)21/h2-8,12,18H,9H2,1H3,(H,20,21)