4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-2H-phthalazin-1-one Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H22N4O4S/c29-23(16-22-20-7-3-4-8-21(20)24(30)26-25-22)27-11-13-28(14-12-27)33(31,32)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,26,30)