4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

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