methyl 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetate Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazino]sulfonyl-2-methyl-phenoxy]acetic acid methyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S/c1-15-12-18(6-7-19(15)28-14-20(24)27-2)29(25,26)23-10-8-22(9-11-23)17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3