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

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]quinazolin-4-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O4S/c1-17-7-9-18(10-8-17)31(29,30)26-12-4-11-24(13-14-26)21(27)15-25-16-23-20-6-3-2-5-19(20)22(25)28/h2-3,5-10,16H,4,11-15H2,1H3