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

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H26FN3O5S2 MolecularWeight: 483.576643

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26FN3O5S2/c1-3-24(14-16-4-6-19(29-2)18(22)12-16)21(26)15-31-20-7-5-17(13-23-20)32(27,28)25-8-10-30-11-9-25/h4-7,12-13H,3,8-11,14-15H2,1-2H3