4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-(4-tosyl-1,4-diazepane-1-carbonyl)phthalazin-1-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)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

InChI=1S/C24H28N4O4S/c1-17(2)28-23(29)21-8-5-4-7-20(21)22(25-28)24(30)26-13-6-14-27(16-15-26)33(31,32)19-11-9-18(3)10-12-19/h4-5,7-12,17H,6,13-16H2,1-3H3