4-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-3-methylsulfanyl-benzoic acid

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-3-methylsulfanyl-benzoic acid Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-3-methylsulfanyl-benzoic acid CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-(methylthio)benzoic acid IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methylsulfanylbenzoic acid Traditional Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-3-(methylthio)benzoic acid Formula: C17H19NO6S2 MolecularWeight: 397.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)SC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)SC)OC)OC

InChI

InChI=1S/C17H19NO6S2/c1-10-7-13(23-2)14(24-3)9-16(10)26(21,22)18-12-6-5-11(17(19)20)8-15(12)25-4/h5-9,18H,1-4H3,(H,19,20)