N-[[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-(3-thienyl)acetamide CAS Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-thiophen-3-ylacetamide Traditional Name: N-[4-(4,9-diethoxy-3-keto-1H-benz[f]isoindol-2-yl)benzyl]sulfonyl-2-(3-thienyl)acetamide Formula: C29H28N2O6S2 MolecularWeight: 564.67242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CS(=O)(=O)NC(=O)CC5=CSC=C5

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CS(=O)(=O)NC(=O)CC5=CSC=C5

InChI

InChI=1S/C29H28N2O6S2/c1-3-36-27-22-7-5-6-8-23(22)28(37-4-2)26-24(27)16-31(29(26)33)21-11-9-19(10-12-21)18-39(34,35)30-25(32)15-20-13-14-38-17-20/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,32)