2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H17FN4O7S MolecularWeight: 476.434983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C20H17FN4O7S/c21-13-2-1-3-15(10-13)33(31,32)23-8-6-22(7-9-23)18(26)12-24-19(27)16-5-4-14(25(29)30)11-17(16)20(24)28/h1-5,10-11H,6-9,12H2