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

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[[4-[oxo(propoxy)methyl]phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]acrylic acid Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)O

InChI

InChI=1S/C21H23NO8S/c1-4-11-30-21(25)15-6-8-16(9-7-15)22-31(26,27)18-13-14(5-10-19(23)24)12-17(28-2)20(18)29-3/h5-10,12-13,22H,4,11H2,1-3H3,(H,23,24)/b10-5+