2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(2,5-dimethylphenyl)-1-phthalazinyl]oxy]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C32H30N4O4S MolecularWeight: 566.67

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C3=CC=CC=C32)OCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C3=CC=CC=C32)OCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C32H30N4O4S/c1-22-11-12-23(2)29(19-22)31-27-9-5-6-10-28(27)32(34-33-31)40-21-30(37)35-15-17-36(18-16-35)41(38,39)26-14-13-24-7-3-4-8-25(24)20-26/h3-14,19-20H,15-18,21H2,1-2H3