3-[2-(methylsulfonylamino)phenyl]sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[2-(methylsulfonylamino)phenyl]sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[2-(methanesulfonamido)phenyl]sulfanyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid CAS Name: 3-[[2-(methanesulfonamido)phenyl]thio]-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[2-(methanesulfonamido)phenyl]sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[2-(methanesulfonamido)phenyl]thio]-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid Formula: C22H18N2O5S3 MolecularWeight: 486.58372

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1SC2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1SC2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C22H18N2O5S3/c1-32(27,28)24-17-6-2-3-7-18(17)30-20-16-9-8-15(11-19(16)31-21(20)22(25)26)29-13-14-5-4-10-23-12-14/h2-12,24H,13H2,1H3,(H,25,26)