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

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-(4-styrylsulfonylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[4-(2-phenylethenylsulfonyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-styrylsulfonylpiperazino)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H20N4O7S MolecularWeight: 484.4818

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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)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O7S/c27-20(15-25-21(28)18-7-6-17(26(30)31)14-19(18)22(25)29)23-9-11-24(12-10-23)34(32,33)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2