2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-2-methyl-phenoxy)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-chloro-2-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(4-chloro-2-methyl-phenoxy)propan-1-one Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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