(E)-3-[3,4-dimethoxy-5-[(3-methoxy-3-oxidanylidene-1-phenyl-propyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(3-methoxy-3-oxidanylidene-1-phenyl-propyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(3-methoxy-3-oxo-1-phenyl-propyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(3-keto-3-methoxy-1-phenyl-propyl)sulfamoyl]-4,5-dimethoxy-phenyl]acrylic acid Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC(CC(=O)OC)C2=CC=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO8S/c1-28-17-11-14(9-10-19(23)24)12-18(21(17)30-3)31(26,27)22-16(13-20(25)29-2)15-7-5-4-6-8-15/h4-12,16,22H,13H2,1-3H3,(H,23,24)/b10-9+