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

Systemtic Name: N-[[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-pyridin-3-yl-ethanamide Openeye Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-(3-pyridyl)acetamide CAS Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-pyridin-3-ylacetamide Traditional Name: N-[4-(4,9-diethoxy-3-keto-1H-benz[f]isoindol-2-yl)benzyl]sulfonyl-2-(3-pyridyl)acetamide Formula: C30H29N3O6S MolecularWeight: 559.63276

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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=CN=CC=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=CN=CC=C5

InChI

InChI=1S/C30H29N3O6S/c1-3-38-28-23-9-5-6-10-24(23)29(39-4-2)27-25(28)18-33(30(27)35)22-13-11-20(12-14-22)19-40(36,37)32-26(34)16-21-8-7-15-31-17-21/h5-15,17H,3-4,16,18-19H2,1-2H3,(H,32,34)