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

Systemtic Name: 4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O4S2/c1-17-11-12-21(33-17)34(31,32)27-15-13-26(14-16-27)24(30)22-19-9-5-6-10-20(19)23(29)28(25-22)18-7-3-2-4-8-18/h2-12H,13-16H2,1H3