(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-ethyl-[2-keto-2-(4-sulfamoylanilino)ethyl]ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C20H27N3O5S/c1-4-23(13-15-6-11-18(28-5-2)19(12-15)27-3)14-20(24)22-16-7-9-17(10-8-16)29(21,25)26/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)(H2,21,25,26)/p+1