(E)-3-[4-methoxy-3-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[[4-[oxo(propoxy)methyl]phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-[(4-propoxycarbonylphenyl)sulfamoyl]phenyl]acrylic acid Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7S/c1-3-12-28-20(24)15-6-8-16(9-7-15)21-29(25,26)18-13-14(5-11-19(22)23)4-10-17(18)27-2/h4-11,13,21H,3,12H2,1-2H3,(H,22,23)/b11-5+