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

Systemtic Name: 4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C17H15ClN4O4S2 MolecularWeight: 438.9084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C17H15ClN4O4S2/c18-13-5-6-14(27-13)28(25,26)22-9-7-21(8-10-22)17(24)15-11-3-1-2-4-12(11)16(23)20-19-15/h1-6H,7-10H2,(H,20,23)