4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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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=CC(=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-4-11-28-23(29)21-8-6-5-7-20(21)22(25-28)24(30)26-12-14-27(15-13-26)33(31,32)19-10-9-17(2)18(3)16-19/h5-10,16H,4,11-15H2,1-3H3