2-(4-tert-butylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(3-pyridylsulfonyl)piperazino]ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)17-6-8-18(9-7-17)28-16-20(25)23-11-13-24(14-12-23)29(26,27)19-5-4-10-22-15-19/h4-10,15H,11-14,16H2,1-3H3