1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfinyl)chromen-4-yl]-4-methyl-piperazin-2-one

Systemtic Name: 1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfinyl)chromen-4-yl]-4-methyl-piperazin-2-one Openeye Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)chromen-4-yl]-4-methyl-piperazin-2-one CAS Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)-1-benzopyran-4-yl]-4-methyl-2-piperazinone IUPAC Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)chromen-4-yl]-4-methylpiperazin-2-one Traditional Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)chromen-4-yl]-4-methyl-piperazin-2-one Formula: C17H19F3N2O4S MolecularWeight: 404.40397

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)C(F)(F)F)N3CCN(CC3=O)C)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)C(F)(F)F)N3CCN(CC3=O)C)O)C

InChI

InChI=1S/C17H19F3N2O4S/c1-16(2)15(24)14(22-7-6-21(3)9-13(22)23)11-8-10(4-5-12(11)26-16)27(25)17(18,19)20/h4-5,8,24H,6-7,9H2,1-3H3