(3R)-3-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-4H-isochromen-1-one

Systemtic Name: (3R)-3-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-4H-isochromen-1-one Openeye Name: (3R)-3-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: (3R)-3-methyl-3-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-4H-isochromen-1-one Traditional Name: (3R)-3-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]isochroman-1-one Formula: C22H21F3N2O5S MolecularWeight: 482.47275

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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=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O5S/c1-21(14-15-5-2-3-8-18(15)19(28)32-21)20(29)26-9-11-27(12-10-26)33(30,31)17-7-4-6-16(13-17)22(23,24)25/h2-8,13H,9-12,14H2,1H3/t21-/m1/s1