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

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(2-thiophen-2-ylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[[2-(2-thienyl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[(2-thiophen-2-ylphenyl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(2-thiophen-2-ylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[[2-(2-thienyl)phenyl]sulfamoyl]phenyl]acrylic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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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=C2C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=CC=C2C3=CC=CS3)OC

InChI

InChI=1S/C21H19NO6S2/c1-27-17-12-14(9-10-20(23)24)13-19(21(17)28-2)30(25,26)22-16-7-4-3-6-15(16)18-8-5-11-29-18/h3-13,22H,1-2H3,(H,23,24)/b10-9+