N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-4-fluoro-benzenesulfonamide Formula: C20H17FN2O6S2 MolecularWeight: 464.487183

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C20H17FN2O6S2/c21-15-3-5-16(6-4-15)31(26,27)23-12-20(14-2-1-9-22-11-14)30(24,25)17-7-8-18-19(10-17)29-13-28-18/h1-11,20,23H,12-13H2