2-[4-chloranyl-2-[[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[[4-(3-pyridylmethylsulfonyl)piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[[4-(3-pyridinylmethylsulfonyl)-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[[4-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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