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

Systemtic Name: [3-chloranyl-4-(1-propanimidoylpiperidin-4-yl)oxy-phenyl] 2-sulfamoylethanoate dihydrochloride Openeye Name: [3-chloro-4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl] 2-sulfamoylacetate dihydrochloride CAS Name: 2-sulfamoylacetic acid [3-chloro-4-[[1-(1-iminopropyl)-4-piperidinyl]oxy]phenyl] ester dihydrochloride IUPAC Name: [3-chloro-4-(1-propanimidoylpiperidin-4-yl)oxyphenyl] 2-sulfamoylacetate dihydrochloride Traditional Name: 2-sulfamoylacetic acid [3-chloro-4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl] ester dihydrochloride Formula: C16H24Cl3N3O5S MolecularWeight: 476.80286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)OC(=O)CS(=O)(=O)N)Cl.Cl.Cl

Isomeric SMILES

CCC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)OC(=O)CS(=O)(=O)N)Cl.Cl.Cl

InChI

InChI=1S/C16H22ClN3O5S.2ClH/c1-2-15(18)20-7-5-11(6-8-20)24-14-4-3-12(9-13(14)17)25-16(21)10-26(19,22)23;;/h3-4,9,11,18H,2,5-8,10H2,1H3,(H2,19,22,23);2*1H