1-(3-fluoranyl-4-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(3-fluoro-4-methoxyphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C18H19FN2O4S2 MolecularWeight: 410.482863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)F

InChI

InChI=1S/C18H19FN2O4S2/c1-25-17-6-4-13(10-15(17)19)16(22)12-26-18-7-5-14(11-20-18)27(23,24)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3