2-[4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-nitrophenyl)sulfonylpiperazino]butyl]isoindoline-1,3-quinone Formula: C22H22N4O7S MolecularWeight: 486.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7S/c27-20(10-5-11-25-21(28)16-6-1-2-7-17(16)22(25)29)23-12-14-24(15-13-23)34(32,33)19-9-4-3-8-18(19)26(30)31/h1-4,6-9H,5,10-15H2