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

Systemtic Name: 4-(cyclopropylmethyl)-1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfinyl)-3,4-dihydrochromen-4-yl]piperazin-2-one Openeye Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)chroman-4-yl]piperazin-2-one CAS Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-piperazinone IUPAC Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)-3,4-dihydrochromen-4-yl]piperazin-2-one Traditional Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfinyl)chroman-4-yl]piperazin-2-one Formula: C20H25F3N2O4S MolecularWeight: 446.48371

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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)CC4CC4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)C(F)(F)F)N3CCN(CC3=O)CC4CC4)O)C

InChI

InChI=1S/C20H25F3N2O4S/c1-19(2)18(27)17(25-8-7-24(11-16(25)26)10-12-3-4-12)14-9-13(5-6-15(14)29-19)30(28)20(21,22)23/h5-6,9,12,17-18,27H,3-4,7-8,10-11H2,1-2H3