1-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-piperidinosulfonylphenyl)-2-(quinazolin-4-ylthio)ethanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3S2/c25-20(14-28-21-18-6-2-3-7-19(18)22-15-23-21)16-8-10-17(11-9-16)29(26,27)24-12-4-1-5-13-24/h2-3,6-11,15H,1,4-5,12-14H2