1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2,3,5-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(2,3,5-trimethylphenoxy)ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H26N2O4S/c1-16-13-17(2)18(3)20(14-16)27-15-21(24)22-9-11-23(12-10-22)28(25,26)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3