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3-[4-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]phenyl]propanoic acid

3-[4-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]phenyl]propanoic acid

Systemtic Name:3-[4-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]phenyl]propanoic acid
Openeye Name:3-[4-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]phenyl]propanoic acid
CAS Name:3-[4-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]sulfamoyl]phenyl]propanoic acid
IUPAC Name:3-[4-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]phenyl]propanoic acid
Traditional Name:3-[4-[(piperonyloylamino)sulfamoyl]phenyl]propionic acid
Formula: C17H16N2O7S
MolecularWeight: 392.38314
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O


InChI

InChI=1S/C17H16N2O7S/c20-16(21)8-3-11-1-5-13(6-2-11)27(23,24)19-18-17(22)12-4-7-14-15(9-12)26-10-25-14/h1-2,4-7,9,19H,3,8,10H2,(H,18,22)(H,20,21)


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