(5-bromanyl-2-methoxy-phenyl)methyl-[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[4-(diethylsulfamoyl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C21H29BrN3O4S+ MolecularWeight: 499.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H28BrN3O4S/c1-5-25(6-2)30(27,28)19-10-8-18(9-11-19)23-21(26)15-24(3)14-16-13-17(22)7-12-20(16)29-4/h7-13H,5-6,14-15H2,1-4H3,(H,23,26)/p+1