2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(4-fluorophenyl)ethanol CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(4-fluorophenyl)ethanol IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(4-fluorophenyl)ethanol Formula: C19H23FN2O3S2 MolecularWeight: 410.525923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(C3=CC=C(C=C3)F)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C19H23FN2O3S2/c20-16-7-5-15(6-8-16)18(23)14-26-19-10-9-17(13-21-19)27(24,25)22-11-3-1-2-4-12-22/h5-10,13,18,23H,1-4,11-12,14H2