6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-nitro-5-phenylsulfanyl-phenyl)hexanamide

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-nitro-5-phenylsulfanyl-phenyl)hexanamide Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-N-(3-nitro-5-phenylsulfanyl-phenyl)hexanamide CAS Name: 6-(1,3-dioxo-2-isoindolyl)-N-[3-nitro-5-(phenylthio)phenyl]hexanamide IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-N-(3-nitro-5-phenylsulfanylphenyl)hexanamide Traditional Name: N-[3-nitro-5-(phenylthio)phenyl]-6-phthalimido-hexanamide Formula: C26H23N3O5S MolecularWeight: 489.54292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H23N3O5S/c30-24(13-5-2-8-14-28-25(31)22-11-6-7-12-23(22)26(28)32)27-18-15-19(29(33)34)17-21(16-18)35-20-9-3-1-4-10-20/h1,3-4,6-7,9-12,15-17H,2,5,8,13-14H2,(H,27,30)