2-(3-propan-2-ylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-propan-2-ylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(3-isopropylphenoxy)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-propan-2-ylphenoxy)-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-propan-2-ylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(3-isopropylphenoxy)-1-[4-(3-pyridylsulfonyl)piperazino]ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-16(2)17-5-3-6-18(13-17)27-15-20(24)22-9-11-23(12-10-22)28(25,26)19-7-4-8-21-14-19/h3-8,13-14,16H,9-12,15H2,1-2H3