1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-(2-pyrimidylthio)ethanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=CC=N2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=CC=N2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N4O3S2/c25-19(15-28-20-21-8-3-9-22-20)23-10-12-24(13-11-23)29(26,27)18-7-6-16-4-1-2-5-17(16)14-18/h1-9,14H,10-13,15H2