4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C)C(C)(C)C

InChI

InChI=1S/C25H30N4O4S/c1-16-14-18(25(3,4)5)15-17(2)22(16)34(32,33)29-12-10-28(11-13-29)24(31)21-19-8-6-7-9-20(19)23(30)27-26-21/h6-9,14-15H,10-13H2,1-5H3,(H,27,30)