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

Systemtic Name: [3-chloranyl-4-[1-(phenylmethyl)piperidin-4-yl]oxy-phenyl] 2-sulfamoylethanoate dihydrochloride Openeye Name: [4-[(1-benzyl-4-piperidyl)oxy]-3-chloro-phenyl] 2-sulfamoylacetate dihydrochloride CAS Name: 2-sulfamoylacetic acid [3-chloro-4-[[1-(phenylmethyl)-4-piperidinyl]oxy]phenyl] ester dihydrochloride IUPAC Name: [4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl] 2-sulfamoylacetate dihydrochloride Traditional Name: 2-sulfamoylacetic acid [4-[(1-benzyl-4-piperidyl)oxy]-3-chloro-phenyl] ester dihydrochloride Formula: C20H25Cl3N2O5S MolecularWeight: 511.8469

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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=CC=C3.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S.2ClH/c21-18-12-17(28-20(24)14-29(22,25)26)6-7-19(18)27-16-8-10-23(11-9-16)13-15-4-2-1-3-5-15;;/h1-7,12,16H,8-11,13-14H2,(H2,22,25,26);2*1H