2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: homoveratryl-[(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H27N3O5S/c1-14(20(24)22-16-6-8-17(9-7-16)29(21,25)26)23(2)12-11-15-5-10-18(27-3)19(13-15)28-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)(H2,21,25,26)/p+1/t14-/m1/s1