3-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]quinazolin-4-one

Systemtic Name: 3-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]quinazolin-4-one Openeye Name: 3-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 3-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 3-[4-(4-mesyl-1,4-diazepane-1-carbonyl)phenyl]quinazolin-4-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N4O4S/c1-30(28,29)24-12-4-11-23(13-14-24)20(26)16-7-9-17(10-8-16)25-15-22-19-6-3-2-5-18(19)21(25)27/h2-3,5-10,15H,4,11-14H2,1H3