3-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one

Systemtic Name: 3-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: 3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: 3-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: 3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one Formula: C21H20F2N2O5S MolecularWeight: 450.455706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C21H20F2N2O5S/c1-21(13-14-5-2-3-6-15(14)19(26)30-21)20(27)24-9-11-25(12-10-24)31(28,29)18-16(22)7-4-8-17(18)23/h2-8H,9-13H2,1H3