2-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-oxo-2-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(4-sec-butylphenyl)sulfonylpiperazino]ethyl]phthalazin-1-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C24H28N4O4S/c1-3-18(2)19-8-10-21(11-9-19)33(31,32)27-14-12-26(13-15-27)23(29)17-28-24(30)22-7-5-4-6-20(22)16-25-28/h4-11,16,18H,3,12-15,17H2,1-2H3