3-(phenylsulfonyl)-4-(2-pyridin-4-ylethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 3-(phenylsulfonyl)-4-(2-pyridin-4-ylethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-(benzenesulfonyl)-4-[2-(4-pyridyl)ethoxy]-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 3-(benzenesulfonyl)-4-(2-pyridin-4-ylethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-(benzenesulfonyl)-4-(2-pyridin-4-ylethoxy)-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-besyl-4-[2-(4-pyridyl)ethoxy]-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)OCCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)OCCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO5S2/c23-28(24)15-20(29(25,26)17-5-2-1-3-6-17)21-18(7-4-8-19(21)28)27-14-11-16-9-12-22-13-10-16/h1-10,12-13,20H,11,14-15H2