N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-N-methyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H24FN3O4S2 MolecularWeight: 453.550663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24FN3O4S2/c1-23(13-15-5-7-18(28-2)17(21)11-15)20(25)14-29-19-8-6-16(12-22-19)30(26,27)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3