(E)-3-[3-(dimethylsulfamoyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(dimethylsulfamoyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(dimethylsulfamoyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(dimethylsulfamoyl)-4-[(2-methoxyphenyl)thio]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(dimethylsulfamoyl)-4-(2-methoxyphenyl)sulfanylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(dimethylsulfamoyl)-4-[(2-methoxyphenyl)thio]phenyl]acrylic acid Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)O)SC2=CC=CC=C2OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)O)SC2=CC=CC=C2OC

InChI

InChI=1S/C18H19NO5S2/c1-19(2)26(22,23)17-12-13(9-11-18(20)21)8-10-16(17)25-15-7-5-4-6-14(15)24-3/h4-12H,1-3H3,(H,20,21)/b11-9+