(3S)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: (3S)-3-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one Formula: C20H19FN2O5S MolecularWeight: 418.438663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H19FN2O5S/c21-16-7-3-4-8-18(16)29(26,27)23-11-9-22(10-12-23)19(24)17-13-14-5-1-2-6-15(14)20(25)28-17/h1-8,17H,9-13H2/t17-/m0/s1