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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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