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

Systemtic Name: 2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-isopropyl-4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N4O4S2/c1-14(2)24-19(25)16-7-4-3-6-15(16)18(21-24)20(26)22-9-11-23(12-10-22)30(27,28)17-8-5-13-29-17/h3-8,13-14H,9-12H2,1-2H3