N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-fluoro-benzamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridinyl)ethyl]-2-fluorobenzamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2-fluorobenzamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-fluoro-benzamide Formula: C22H19FN2O5S MolecularWeight: 442.460063

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)C(CNC(=O)C3=CC=CC=C3F)C4=CN=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)C(CNC(=O)C3=CC=CC=C3F)C4=CN=CC=C4

InChI

InChI=1S/C22H19FN2O5S/c23-18-6-2-1-5-17(18)22(26)25-14-21(15-4-3-9-24-13-15)31(27,28)16-7-8-19-20(12-16)30-11-10-29-19/h1-9,12-13,21H,10-11,14H2,(H,25,26)