2-methyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-methyl-4-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]phthalazin-1-one CAS Name: 2-methyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 4-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-2-methyl-phthalazin-1-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)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H26N4O4S/c1-17-8-10-18(11-9-17)32(30,31)27-13-5-12-26(14-15-27)22(28)16-21-19-6-3-4-7-20(19)23(29)25(2)24-21/h3-4,6-11H,5,12-16H2,1-2H3