2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-2,6-dimethyl-phenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-chloro-2,6-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-2,6-dimethylphenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(4-chloro-2,6-dimethyl-phenoxy)ethanone Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-15-12-17(21)13-16(2)20(15)27-14-19(24)22-8-10-23(11-9-22)28(25,26)18-6-4-3-5-7-18/h3-7,12-13H,8-11,14H2,1-2H3