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

Systemtic Name: 2-butyl-4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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

Isomeric SMILES

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

InChI

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