N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(7-fluoro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(7-fluoro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(7-fluoro-4-keto-quinazolin-3-yl)acetamide Formula: C22H22ClFN4O4S MolecularWeight: 492.950883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)F

InChI

InChI=1S/C22H22ClFN4O4S/c23-18-8-6-16(33(31,32)28-9-3-1-2-4-10-28)12-20(18)26-21(29)13-27-14-25-19-11-15(24)5-7-17(19)22(27)30/h5-8,11-12,14H,1-4,9-10,13H2,(H,26,29)