5-fluoranyl-3-methyl-N-[2-(methylsulfanylmethyl)-4-pyridin-4-yl-phenyl]-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-fluoranyl-3-methyl-N-[2-(methylsulfanylmethyl)-4-pyridin-4-yl-phenyl]-1-benzothiophene-2-sulfonamide Openeye Name: 5-fluoro-3-methyl-N-[2-(methylsulfanylmethyl)-4-(4-pyridyl)phenyl]benzothiophene-2-sulfonamide CAS Name: 5-fluoro-3-methyl-N-[2-[(methylthio)methyl]-4-pyridin-4-ylphenyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-fluoro-3-methyl-N-[2-(methylsulfanylmethyl)-4-pyridin-4-ylphenyl]-1-benzothiophene-2-sulfonamide Traditional Name: 5-fluoro-3-methyl-N-[2-[(methylthio)methyl]-4-(4-pyridyl)phenyl]benzothiophene-2-sulfonamide Formula: C22H19FN2O2S3 MolecularWeight: 458.591863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C4=CC=NC=C4)CSC

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C4=CC=NC=C4)CSC

InChI

InChI=1S/C22H19FN2O2S3/c1-14-19-12-18(23)4-6-21(19)29-22(14)30(26,27)25-20-5-3-16(11-17(20)13-28-2)15-7-9-24-10-8-15/h3-12,25H,13H2,1-2H3