2-(3,4-dichlorophenyl)ethyl-methyl-[3-[4-(methylsulfonylamino)phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(3,4-dichlorophenyl)ethyl-methyl-[3-[4-(methylsulfonylamino)phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: 2-(3,4-dichlorophenyl)ethyl-[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]-methyl-ammonium CAS Name: 2-(3,4-dichlorophenyl)ethyl-[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]-methylammonium IUPAC Name: 2-(3,4-dichlorophenyl)ethyl-[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]-methylazanium Traditional Name: 2-(3,4-dichlorophenyl)ethyl-[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]-methyl-ammonium Formula: C19H25Cl2N2O4S+ MolecularWeight: 448.3838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)Cl)Cl)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)Cl)Cl)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O

InChI

InChI=1S/C19H24Cl2N2O4S/c1-23(10-9-14-3-8-18(20)19(21)11-14)12-16(24)13-27-17-6-4-15(5-7-17)22-28(2,25)26/h3-8,11,16,22,24H,9-10,12-13H2,1-2H3/p+1