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

Systemtic Name: 3-[3,4-dimethoxy-5-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-[[2-(phenylthio)phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-[[2-(phenylthio)phenyl]sulfamoyl]phenyl]acrylic acid Formula: C23H21NO6S2 MolecularWeight: 471.54594

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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=C2SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=CC=C2SC3=CC=CC=C3)OC

InChI

InChI=1S/C23H21NO6S2/c1-29-19-14-16(12-13-22(25)26)15-21(23(19)30-2)32(27,28)24-18-10-6-7-11-20(18)31-17-8-4-3-5-9-17/h3-15,24H,1-2H3,(H,25,26)