1-[6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[(3-fluoro-4-methoxyphenyl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[(3-fluoro-4-methoxy-benzyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C18H22FN3O3S2 MolecularWeight: 411.513983

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C18H22FN3O3S2/c1-21-7-9-22(10-8-21)27(23,24)15-4-6-18(20-12-15)26-13-14-3-5-17(25-2)16(19)11-14/h3-6,11-12H,7-10,13H2,1-2H3