N-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyl]-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C21H27FN4O3S2 MolecularWeight: 466.592483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4O3S2/c1-14-19(15(2)24-21(23-14)30-3)8-9-20(27)26-12-10-17(11-13-26)25-31(28,29)18-6-4-16(22)5-7-18/h4-7,17,25H,8-13H2,1-3H3