N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetamide Formula: C23H23ClFN3O4S MolecularWeight: 491.962823

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H23ClFN3O4S/c1-15-8-10-28(11-9-15)33(31,32)21-13-27(23(30)18-5-3-2-4-17(18)21)14-22(29)26-16-6-7-20(25)19(24)12-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,26,29)