(E)-3-[3,4-dimethoxy-5-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[(3-sulfamoylphenyl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acrylic acid Formula: C17H18N2O8S2 MolecularWeight: 442.46342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N)OC

InChI

InChI=1S/C17H18N2O8S2/c1-26-14-8-11(6-7-16(20)21)9-15(17(14)27-2)29(24,25)19-12-4-3-5-13(10-12)28(18,22)23/h3-10,19H,1-2H3,(H,20,21)(H2,18,22,23)/b7-6+