1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2,4,6-trimethylphenoxy)ethanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

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