3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one

Systemtic Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: 3-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one Formula: C21H21FN2O5S MolecularWeight: 432.465243

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S/c1-21(14-15-5-2-3-8-18(15)19(25)29-21)20(26)23-9-11-24(12-10-23)30(27,28)17-7-4-6-16(22)13-17/h2-8,13H,9-12,14H2,1H3