N-(3-chloranyl-4-fluoranyl-phenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[6-[(4-methyl-1-piperidinyl)sulfonyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-keto-6-(4-methylpiperidino)sulfonyl-quinazolin-3-yl]acetamide Formula: C22H22ClFN4O4S MolecularWeight: 492.950883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN4O4S/c1-14-6-8-28(9-7-14)33(31,32)16-3-5-20-17(11-16)22(30)27(13-25-20)12-21(29)26-15-2-4-19(24)18(23)10-15/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,26,29)