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

Systemtic Name: 4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C18H17ClN4O4S2 MolecularWeight: 452.93498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H17ClN4O4S2/c1-21-17(24)13-5-3-2-4-12(13)16(20-21)18(25)22-8-10-23(11-9-22)29(26,27)15-7-6-14(19)28-15/h2-7H,8-11H2,1H3