2-(2-chloranyl-5-methyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-chloro-5-methyl-phenoxy)ethanone CAS Name: 2-(2-chloro-5-methylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-chloro-5-methylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2-chloro-5-methyl-phenoxy)ethanone Formula: C20H23ClN2O4S MolecularWeight: 422.92562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-16-7-8-18(21)19(13-16)27-14-20(24)22-9-11-23(12-10-22)28(25,26)15-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3