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

Systemtic Name: 3-methyl-2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-methyl-2-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one CAS Name: 3-methyl-2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-methyl-2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 2-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-3-methyl-quinazolin-4-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C24H28N4O4S/c1-18-8-10-19(11-9-18)33(31,32)28-15-5-14-27(16-17-28)23(29)13-12-22-25-21-7-4-3-6-20(21)24(30)26(22)2/h3-4,6-11H,5,12-17H2,1-2H3