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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-1-(4-fluorophenyl)methanesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide Formula: C21H19FN2O6S2 MolecularWeight: 478.513763

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)CC3=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)CC3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C21H19FN2O6S2/c22-17-5-3-15(4-6-17)13-31(25,26)24-12-21(16-2-1-9-23-11-16)32(27,28)18-7-8-19-20(10-18)30-14-29-19/h1-11,21,24H,12-14H2