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

Systemtic Name: 2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-1H-quinazolin-4-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O4S/c1-17-7-9-18(10-8-17)32(30,31)27-14-4-13-26(15-16-27)22(28)12-11-21-24-20-6-3-2-5-19(20)23(29)25-21/h2-3,5-10H,4,11-16H2,1H3,(H,24,25,29)