2-[[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]benzoyl]amino]ethyl-diethyl-ammonium Formula: C21H29BrN3O4S+ MolecularWeight: 499.44166

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)OCC)Br

InChI

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