[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC

InChI

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