[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)N)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)N)O

InChI

InChI=1S/C20H26N2O5S/c1-2-20(24)16-5-7-18(8-6-16)27-14-17(23)13-22-12-11-15-3-9-19(10-4-15)28(21,25)26/h3-10,17,22-23H,2,11-14H2,1H3,(H2,21,25,26)/p+1/t17-/m1/s1