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

Systemtic Name: 1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfonyl)chromen-4-yl]-4-(phenylmethyl)piperazin-2-one Openeye Name: 4-benzyl-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]piperazin-2-one CAS Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)-1-benzopyran-4-yl]-4-(phenylmethyl)-2-piperazinone IUPAC Name: 4-benzyl-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]piperazin-2-one Traditional Name: 4-benzyl-1-(3-hydroxy-2,2-dimethyl-6-triflyl-chromen-4-yl)piperazin-2-one Formula: C23H23F3N2O5S MolecularWeight: 496.49933

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(F)(F)F)N3CCN(CC3=O)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(F)(F)F)N3CCN(CC3=O)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C23H23F3N2O5S/c1-22(2)21(30)20(17-12-16(8-9-18(17)33-22)34(31,32)23(24,25)26)28-11-10-27(14-19(28)29)13-15-6-4-3-5-7-15/h3-9,12,30H,10-11,13-14H2,1-2H3