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

Systemtic Name: N-butan-2-yl-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxo-2-isoquinolyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-butan-2-yl-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-sec-butyl-acetamide Formula: C25H29FN4O4S MolecularWeight: 500.585563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C=C(C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC(C)NC(=O)CN1C=C(C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O4S/c1-3-18(2)27-24(31)17-29-16-23(19-8-4-5-9-20(19)25(29)32)35(33,34)30-14-12-28(13-15-30)22-11-7-6-10-21(22)26/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,27,31)