3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-(4-tosyl-1,4-diazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O

InChI

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