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

Systemtic Name: [3-chloranyl-4-(1-phenethylpiperidin-4-yl)oxy-phenyl] 2-sulfamoylethanoate dihydrochloride Openeye Name: [3-chloro-4-[(1-phenethyl-4-piperidyl)oxy]phenyl] 2-sulfamoylacetate dihydrochloride CAS Name: 2-sulfamoylacetic acid [3-chloro-4-[(1-phenethyl-4-piperidinyl)oxy]phenyl] ester dihydrochloride IUPAC Name: [3-chloro-4-(1-phenethylpiperidin-4-yl)oxyphenyl] 2-sulfamoylacetate dihydrochloride Traditional Name: 2-sulfamoylacetic acid [3-chloro-4-[(1-phenethyl-4-piperidyl)oxy]phenyl] ester dihydrochloride Formula: C21H27Cl3N2O5S MolecularWeight: 525.87348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=C(C=C2)OC(=O)CS(=O)(=O)N)Cl)CCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCC1OC2=C(C=C(C=C2)OC(=O)CS(=O)(=O)N)Cl)CCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H25ClN2O5S.2ClH/c22-19-14-18(29-21(25)15-30(23,26)27)6-7-20(19)28-17-9-12-24(13-10-17)11-8-16-4-2-1-3-5-16;;/h1-7,14,17H,8-13,15H2,(H2,23,26,27);2*1H