2-[4-chloranyl-2-[[2-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[[2-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[[4-(benzenesulfonyl)-2-methyl-piperazin-1-yl]methyl]-4-chloro-phenoxy]acetic acid CAS Name: 2-[2-[[4-(benzenesulfonyl)-2-methyl-1-piperazinyl]methyl]-4-chlorophenoxy]acetic acid IUPAC Name: 2-[2-[[4-(benzenesulfonyl)-2-methylpiperazin-1-yl]methyl]-4-chlorophenoxy]acetic acid Traditional Name: 2-[2-[(4-besyl-2-methyl-piperazino)methyl]-4-chloro-phenoxy]acetic acid Formula: C20H23ClN2O5S MolecularWeight: 438.92502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23ClN2O5S/c1-15-12-23(29(26,27)18-5-3-2-4-6-18)10-9-22(15)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)