1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-phthalazin-1-ylsulfanyl-ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(1-phthalazinylthio)ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-phthalazin-1-ylsulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(phthalazin-1-ylthio)ethanone Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=CC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=CC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c26-20(15-29-21-19-9-5-4-8-18(19)14-22-23-21)24-10-12-25(13-11-24)30(27,28)16-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2