2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]-N-(3-methylphenyl)-N-propyl-ethanamide

Systemtic Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]-N-(3-methylphenyl)-N-propyl-ethanamide Openeye Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxo-2-isoquinolyl]-N-(m-tolyl)-N-propyl-acetamide CAS Name: 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-oxo-2-isoquinolinyl]-N-(3-methylphenyl)-N-propylacetamide IUPAC Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxoisoquinolin-2-yl]-N-(3-methylphenyl)-N-propylacetamide Traditional Name: 2-[4-[4-(2-fluorophenyl)piperazino]sulfonyl-1-keto-2-isoquinolyl]-N-(m-tolyl)-N-propyl-acetamide Formula: C31H33FN4O4S MolecularWeight: 576.681523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33FN4O4S/c1-3-15-36(24-10-8-9-23(2)20-24)30(37)22-34-21-29(25-11-4-5-12-26(25)31(34)38)41(39,40)35-18-16-33(17-19-35)28-14-7-6-13-27(28)32/h4-14,20-21H,3,15-19,22H2,1-2H3