3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-(4-besylpiperazino)-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O5S/c25-18(14-24-20(27)17-9-5-4-8-16(17)19(26)21-24)22-10-12-23(13-11-22)30(28,29)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,26)