4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H32N4O4S/c1-4-5-8-13-30-25(31)22-10-7-6-9-21(22)24(27-30)26(32)28-14-16-29(17-15-28)35(33,34)23-18-19(2)11-12-20(23)3/h6-7,9-12,18H,4-5,8,13-17H2,1-3H3