N-[[3-cyano-4-(5,9-dicyclopropyl-6-oxidanylidene-8H-pyrrolo[3,4-g]quinolin-7-yl)phenyl]methylsulfonyl]-2-pyridin-2-yl-ethanamide

Systemtic Name: N-[[3-cyano-4-(5,9-dicyclopropyl-6-oxidanylidene-8H-pyrrolo[3,4-g]quinolin-7-yl)phenyl]methylsulfonyl]-2-pyridin-2-yl-ethanamide Openeye Name: N-[[3-cyano-4-(5,9-dicyclopropyl-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)phenyl]methylsulfonyl]-2-(2-pyridyl)acetamide CAS Name: N-[[3-cyano-4-(5,9-dicyclopropyl-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)phenyl]methylsulfonyl]-2-(2-pyridinyl)acetamide IUPAC Name: N-[[3-cyano-4-(5,9-dicyclopropyl-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)phenyl]methylsulfonyl]-2-pyridin-2-ylacetamide Traditional Name: N-[3-cyano-4-(5,9-dicyclopropyl-6-keto-8H-pyrrolo[3,4-g]quinolin-7-yl)benzyl]sulfonyl-2-(2-pyridyl)acetamide Formula: C32H27N5O4S MolecularWeight: 577.65288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C3C(=C(C4=C2CN(C4=O)C5=C(C=C(C=C5)CS(=O)(=O)NC(=O)CC6=CC=CC=N6)C#N)C7CC7)C=CC=N3

Isomeric SMILES

C1CC1C2=C3C(=C(C4=C2CN(C4=O)C5=C(C=C(C=C5)CS(=O)(=O)NC(=O)CC6=CC=CC=N6)C#N)C7CC7)C=CC=N3

InChI

InChI=1S/C32H27N5O4S/c33-16-22-14-19(18-42(40,41)36-27(38)15-23-4-1-2-12-34-23)6-11-26(22)37-17-25-29(21-9-10-21)31-24(5-3-13-35-31)28(20-7-8-20)30(25)32(37)39/h1-6,11-14,20-21H,7-10,15,17-18H2,(H,36,38)