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

Systemtic Name: 2-[4-chloranyl-2-[[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[[4-(2-pyridylmethylsulfonyl)piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[[4-(2-pyridinylmethylsulfonyl)-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[[4-(2-pyridylmethylsulfonyl)piperazino]methyl]phenoxy]acetic acid Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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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=N3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)S(=O)(=O)CC3=CC=CC=N3

InChI

InChI=1S/C19H22ClN3O5S/c20-16-4-5-18(28-13-19(24)25)15(11-16)12-22-7-9-23(10-8-22)29(26,27)14-17-3-1-2-6-21-17/h1-6,11H,7-10,12-14H2,(H,24,25)