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

Systemtic Name: 2-methyl-4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C19H20N4O4S2/c1-13-7-8-16(28-13)29(26,27)23-11-9-22(10-12-23)19(25)17-14-5-3-4-6-15(14)18(24)21(2)20-17/h3-8H,9-12H2,1-2H3