2-[4-chloranyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-chloro-phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-chlorophenoxy]acetic acid Traditional Name: 2-[2-[(4-benzylsulfonylpiperazino)methyl]-4-chloro-phenoxy]acetic acid Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23ClN2O5S/c21-18-6-7-19(28-14-20(24)25)17(12-18)13-22-8-10-23(11-9-22)29(26,27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,24,25)