1-[4-(phenylsulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-(quinazolin-4-ylthio)ethanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

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