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

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxo-2-isoquinolyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: 2-[4-[4-(2-fluorophenyl)piperazino]sulfonyl-1-keto-2-isoquinolyl]-N-p-phenetyl-acetamide Formula: C29H29FN4O5S MolecularWeight: 564.627763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCOC1=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/C29H29FN4O5S/c1-2-39-22-13-11-21(12-14-22)31-28(35)20-33-19-27(23-7-3-4-8-24(23)29(33)36)40(37,38)34-17-15-32(16-18-34)26-10-6-5-9-25(26)30/h3-14,19H,2,15-18,20H2,1H3,(H,31,35)