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

Systemtic Name: 3-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-[(6-chloro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxo-propanoic acid CAS Name: 3-[2-[(6-chloro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[2-[(6-chloro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-oxopropanoic acid Traditional Name: 3-[2-[(6-chloro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]-3-keto-propionic acid Formula: C16H12ClNO7S MolecularWeight: 397.78698

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=CC=C3C(=O)CC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=CC=C3C(=O)CC(=O)O)Cl

InChI

InChI=1S/C16H12ClNO7S/c17-10-5-13-14(25-8-24-13)6-11(10)18-26(22,23)15-4-2-1-3-9(15)12(19)7-16(20)21/h1-6,18H,7-8H2,(H,20,21)