4-[[5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonylfuran-2-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonylfuran-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-furyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[5-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-furanyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[5-(4-mesitylsulfonylpiperazine-1-carbonyl)-2-furyl]methyl]-2H-phthalazin-1-one Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)CC4=NNC(=O)C5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)CC4=NNC(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C27H28N4O5S/c1-17-14-18(2)25(19(3)15-17)37(34,35)31-12-10-30(11-13-31)27(33)24-9-8-20(36-24)16-23-21-6-4-5-7-22(21)26(32)29-28-23/h4-9,14-15H,10-13,16H2,1-3H3,(H,29,32)