2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3,5-dimethylphenoxy)ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-17-12-18(2)14-20(13-17)27-15-21(24)22-8-10-23(11-9-22)28(25,26)16-19-6-4-3-5-7-19/h3-7,12-14H,8-11,15-16H2,1-2H3