4-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C18H17ClN4O4S2 MolecularWeight: 452.93498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H17ClN4O4S2/c19-15-5-6-17(28-15)29(26,27)23-9-7-22(8-10-23)16(24)11-14-12-3-1-2-4-13(12)18(25)21-20-14/h1-6H,7-11H2,(H,21,25)