2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(1-piperidylsulfonyl)pyridine CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-5-piperidinosulfonyl-pyridine Formula: C18H21FN2O3S2 MolecularWeight: 396.499343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)F

InChI

InChI=1S/C18H21FN2O3S2/c1-24-17-7-5-14(11-16(17)19)13-25-18-8-6-15(12-20-18)26(22,23)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3