2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxo-2-isoquinolyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-oxo-2-isoquinolinyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxoisoquinolin-2-yl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-[4-(2-fluorophenyl)piperazino]sulfonyl-1-keto-2-isoquinolyl]-N-p-cumenyl-acetamide Formula: C30H31FN4O4S MolecularWeight: 562.654943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C30H31FN4O4S/c1-21(2)22-11-13-23(14-12-22)32-29(36)20-34-19-28(24-7-3-4-8-25(24)30(34)37)40(38,39)35-17-15-33(16-18-35)27-10-6-5-9-26(27)31/h3-14,19,21H,15-18,20H2,1-2H3,(H,32,36)