4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H26N4O4S/c1-3-16(2)17-8-10-18(11-9-17)32(30,31)27-14-12-26(13-15-27)23(29)21-19-6-4-5-7-20(19)22(28)25-24-21/h4-11,16H,3,12-15H2,1-2H3,(H,25,28)