N-[5-[(E,3S,5S)-6-cyano-3,5-bis(oxidanyl)hex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-2-yl]-N-methyl-methanesulfonamide

Systemtic Name: N-[5-[(E,3S,5S)-6-cyano-3,5-bis(oxidanyl)hex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-2-yl]-N-methyl-methanesulfonamide Openeye Name: N-[5-[(E,3S,5S)-6-cyano-3,5-dihydroxy-hex-1-enyl]-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide CAS Name: N-[5-[(E,3S,5S)-6-cyano-3,5-dihydroxyhex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-yl-2-pyrimidinyl]-N-methylmethanesulfonamide IUPAC Name: N-[5-[(E,3S,5S)-6-cyano-3,5-dihydroxyhex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide Traditional Name: N-[5-[(E,3S,5S)-6-cyano-3,5-dihydroxy-hex-1-enyl]-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC(CC(CC#N)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC#N)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

InChI

InChI=1S/C22H27FN4O4S/c1-14(2)20-19(10-9-17(28)13-18(29)11-12-24)21(15-5-7-16(23)8-6-15)26-22(25-20)27(3)32(4,30)31/h5-10,14,17-18,28-29H,11,13H2,1-4H3/b10-9+/t17-,18+/m1/s1