3-[4-(pyridin-3-ylmethoxy)phenyl]sulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 3-[4-(pyridin-3-ylmethoxy)phenyl]sulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-[4-(3-pyridylmethoxy)phenyl]sulfonyl-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-[4-(3-pyridinylmethoxy)phenyl]sulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-[4-(pyridin-3-ylmethoxy)phenyl]sulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-[4-(3-pyridylmethoxy)phenyl]sulfonyl-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C20H17NO5S2 MolecularWeight: 415.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2S1(=O)=O)S(=O)(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1C(C2=CC=CC=C2S1(=O)=O)S(=O)(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C20H17NO5S2/c22-27(23)14-20(18-5-1-2-6-19(18)27)28(24,25)17-9-7-16(8-10-17)26-13-15-4-3-11-21-12-15/h1-12,20H,13-14H2