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

Systemtic Name: 3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]-2H-phthalazine-1,4-quinone Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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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=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O5S2/c23-15(12-22-18(25)14-5-2-1-4-13(14)17(24)19-22)20-7-9-21(10-8-20)29(26,27)16-6-3-11-28-16/h1-6,11H,7-10,12H2,(H,19,24)