2-(2,5-dimethoxy-4-piperazin-1-ylsulfonyl-phenyl)isoindole-1,3-dione

Systemtic Name: 2-(2,5-dimethoxy-4-piperazin-1-ylsulfonyl-phenyl)isoindole-1,3-dione Openeye Name: 2-(2,5-dimethoxy-4-piperazin-1-ylsulfonyl-phenyl)isoindoline-1,3-dione CAS Name: 2-[2,5-dimethoxy-4-(1-piperazinylsulfonyl)phenyl]isoindole-1,3-dione IUPAC Name: 2-(2,5-dimethoxy-4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione Traditional Name: 2-(2,5-dimethoxy-4-piperazinosulfonyl-phenyl)isoindoline-1,3-quinone Formula: C20H21N3O6S MolecularWeight: 431.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C(=O)C3=CC=CC=C3C2=O)OC)S(=O)(=O)N4CCNCC4

Isomeric SMILES

COC1=CC(=C(C=C1N2C(=O)C3=CC=CC=C3C2=O)OC)S(=O)(=O)N4CCNCC4

InChI

InChI=1S/C20H21N3O6S/c1-28-16-12-18(30(26,27)22-9-7-21-8-10-22)17(29-2)11-15(16)23-19(24)13-5-3-4-6-14(13)20(23)25/h3-6,11-12,21H,7-10H2,1-2H3