2-(4-tert-butylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-tert-butylphenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(4-tert-butylphenoxy)ethanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)18-9-11-19(12-10-18)28-17-21(25)23-13-15-24(16-14-23)29(26,27)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3