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

Systemtic Name: 2-propyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-propyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-propyl-1-phthalazinone IUPAC Name: 2-propyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 4-(4-mesitylsulfonylpiperazine-1-carbonyl)-2-propyl-phthalazin-1-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

InChI

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