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

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-besylpiperazino)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H18N4O7S MolecularWeight: 458.44452

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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

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

InChI

InChI=1S/C20H18N4O7S/c25-18(13-23-19(26)16-7-6-14(24(28)29)12-17(16)20(23)27)21-8-10-22(11-9-21)32(30,31)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2