1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-(4-p-cumenylsulfonylpiperazino)-2-(4-pyridylthio)ethanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-16(2)17-3-5-19(6-4-17)28(25,26)23-13-11-22(12-14-23)20(24)15-27-18-7-9-21-10-8-18/h3-10,16H,11-15H2,1-2H3