1-(4-fluorophenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]butan-1-one Formula: C19H21FN2O3S2 MolecularWeight: 408.510043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O3S2/c20-16-7-5-15(6-8-16)18(23)4-3-13-26-19-10-9-17(14-21-19)27(24,25)22-11-1-2-12-22/h5-10,14H,1-4,11-13H2