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

Systemtic Name: 2-(phenylmethyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H22N4O4S2/c29-23-20-10-5-4-9-19(20)22(25-28(23)17-18-7-2-1-3-8-18)24(30)26-12-14-27(15-13-26)34(31,32)21-11-6-16-33-21/h1-11,16H,12-15,17H2