6-fluoranyl-3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 6-fluoro-3-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one CAS Name: 6-fluoro-3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-fluoro-3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 6-fluoro-3-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]quinazolin-4-one Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C22H23FN4O4S/c1-16-3-6-18(7-4-16)32(30,31)27-10-2-9-25(11-12-27)21(28)14-26-15-24-20-8-5-17(23)13-19(20)22(26)29/h3-8,13,15H,2,9-12,14H2,1H3