2-methyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-methyl-4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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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=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O4S2/c1-20-17(23)14-6-3-2-5-13(14)16(19-20)18(24)21-8-10-22(11-9-21)28(25,26)15-7-4-12-27-15/h2-7,12H,8-11H2,1H3