[3-chloranyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-phenyl] 2-sulfamoylethanoate trihydrochloride

Systemtic Name: [3-chloranyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-phenyl] 2-sulfamoylethanoate trihydrochloride Openeye Name: [3-chloro-4-[[1-(4-pyridylmethyl)-4-piperidyl]oxy]phenyl] 2-sulfamoylacetate trihydrochloride CAS Name: 2-sulfamoylacetic acid [3-chloro-4-[[1-(pyridin-4-ylmethyl)-4-piperidinyl]oxy]phenyl] ester trihydrochloride IUPAC Name: [3-chloro-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl] 2-sulfamoylacetate trihydrochloride Traditional Name: 2-sulfamoylacetic acid [3-chloro-4-[[1-(4-pyridylmethyl)-4-piperidyl]oxy]phenyl] ester trihydrochloride Formula: C19H25Cl4N3O5S MolecularWeight: 549.2959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=C(C=C2)OC(=O)CS(=O)(=O)N)Cl)CC3=CC=NC=C3.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1OC2=C(C=C(C=C2)OC(=O)CS(=O)(=O)N)Cl)CC3=CC=NC=C3.Cl.Cl.Cl

InChI

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