3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]propanoic acid Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]propanoic acid CAS Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]propanoic acid IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]propanoic acid Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]propionic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)OC1

InChI

InChI=1S/C18H19NO6S/c20-18(21)9-4-13-2-6-15(7-3-13)26(22,23)19-14-5-8-16-17(12-14)25-11-1-10-24-16/h2-3,5-8,12,19H,1,4,9-11H2,(H,20,21)