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

Systemtic Name: (E)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)phenyl]acrylic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S/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/h2-9,12,19H,1,10-11H2,(H,20,21)/b9-4+