2-butyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-butyl-phthalazin-1-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-butyl-1-phthalazinone IUPAC Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-butylphthalazin-1-one Traditional Name: 4-(4-besylpiperazine-1-carbonyl)-2-butyl-phthalazin-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-2-3-13-27-22(28)20-12-8-7-11-19(20)21(24-27)23(29)25-14-16-26(17-15-25)32(30,31)18-9-5-4-6-10-18/h4-12H,2-3,13-17H2,1H3