5-(2,3-dihydroindol-1-ylsulfonyl)-2-[(2,3-dimethoxyphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-[(2,3-dimethoxyphenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-indolin-1-ylsulfonyl-benzoic acid CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-[(2,3-dimethoxyphenyl)methylthio]benzoic acid IUPAC Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-[(2,3-dimethoxyphenyl)methylsulfanyl]benzoic acid Traditional Name: 5-indolin-1-ylsulfonyl-2-(o-veratrylthio)benzoic acid Formula: C24H23NO6S2 MolecularWeight: 485.57252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C24H23NO6S2/c1-30-21-9-5-7-17(23(21)31-2)15-32-22-11-10-18(14-19(22)24(26)27)33(28,29)25-13-12-16-6-3-4-8-20(16)25/h3-11,14H,12-13,15H2,1-2H3,(H,26,27)