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

Systemtic Name: 3-ethyl-1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]quinazoline-2,4-dione Openeye Name: 3-ethyl-1-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]quinazoline-2,4-dione CAS Name: 3-ethyl-1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]quinazoline-2,4-dione IUPAC Name: 3-ethyl-1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]quinazoline-2,4-dione Traditional Name: 3-ethyl-1-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]quinazoline-2,4-quinone Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N4O5S/c1-3-27-23(30)20-7-4-5-8-21(20)28(24(27)31)17-22(29)25-13-6-14-26(16-15-25)34(32,33)19-11-9-18(2)10-12-19/h4-5,7-12H,3,6,13-17H2,1-2H3