2-butyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-(4-mesitylsulfonylpiperazine-1-carbonyl)phthalazin-1-one Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C26H32N4O4S/c1-5-6-11-30-25(31)22-10-8-7-9-21(22)23(27-30)26(32)28-12-14-29(15-13-28)35(33,34)24-19(3)16-18(2)17-20(24)4/h7-10,16-17H,5-6,11-15H2,1-4H3