2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H17FN4O6S MolecularWeight: 448.424883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C19H17FN4O6S/c20-13-3-1-4-14(11-13)31(29,30)22-9-7-21(8-10-22)12-23-18(25)15-5-2-6-16(24(27)28)17(15)19(23)26/h1-6,11H,7-10,12H2