[3-chloranyl-4-(1-pyridin-3-ylpiperidin-4-yl)oxy-phenyl] 2-sulfamoylethanoate dihydrochloride

Systemtic Name: [3-chloranyl-4-(1-pyridin-3-ylpiperidin-4-yl)oxy-phenyl] 2-sulfamoylethanoate dihydrochloride Openeye Name: [3-chloro-4-[[1-(3-pyridyl)-4-piperidyl]oxy]phenyl] 2-sulfamoylacetate dihydrochloride CAS Name: 2-sulfamoylacetic acid [3-chloro-4-[[1-(3-pyridinyl)-4-piperidinyl]oxy]phenyl] ester dihydrochloride IUPAC Name: [3-chloro-4-(1-pyridin-3-ylpiperidin-4-yl)oxyphenyl] 2-sulfamoylacetate dihydrochloride Traditional Name: 2-sulfamoylacetic acid [3-chloro-4-[[1-(3-pyridyl)-4-piperidyl]oxy]phenyl] ester dihydrochloride Formula: C18H22Cl3N3O5S MolecularWeight: 498.80838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S.2ClH/c19-16-10-15(27-18(23)12-28(20,24)25)3-4-17(16)26-14-5-8-22(9-6-14)13-2-1-7-21-11-13;;/h1-4,7,10-11,14H,5-6,8-9,12H2,(H2,20,24,25);2*1H