2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-chloro-2,6-dimethyl-phenoxy)ethanone CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-chloro-2,6-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-chloro-2,6-dimethyl-phenoxy)ethanone Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-16-12-19(22)13-17(2)21(16)28-14-20(25)23-8-10-24(11-9-23)29(26,27)15-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3