2-[3-chloranyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-phenyl]-2-sulfamoyl-ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-phenyl]-2-sulfamoyl-ethanoic acid Openeye Name: 2-[3-chloro-4-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]phenyl]-2-sulfamoyl-acetic acid CAS Name: 2-[3-chloro-4-[[1-(3-pyridinylmethyl)-4-piperidinyl]oxy]phenyl]-2-sulfamoylacetic acid IUPAC Name: 2-[3-chloro-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxyphenyl]-2-sulfamoylacetic acid Traditional Name: 2-[3-chloro-4-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]phenyl]-2-sulfamoyl-acetic acid Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=C(C=C2)C(C(=O)O)S(=O)(=O)N)Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1OC2=C(C=C(C=C2)C(C(=O)O)S(=O)(=O)N)Cl)CC3=CN=CC=C3

InChI

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