1-[6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-[(3-fluoro-4-methoxyphenyl)methylthio]-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-[(3-fluoro-4-methoxy-benzyl)thio]-3-pyridyl]sulfonyl]azepane Formula: C19H23FN2O3S2 MolecularWeight: 410.525923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C19H23FN2O3S2/c1-25-18-8-6-15(12-17(18)20)14-26-19-9-7-16(13-21-19)27(23,24)22-10-4-2-3-5-11-22/h6-9,12-13H,2-5,10-11,14H2,1H3