[4-[[[2-bromanyl-5-(cyclopropylsulfamoyl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[[2-bromanyl-5-(cyclopropylsulfamoyl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[2-bromo-5-(cyclopropylsulfamoyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-3-26(4-2)15-17-7-5-16(6-8-17)14-24-22(27)20-13-19(11-12-21(20)23)30(28,29)25-18-9-10-18/h5-8,11-13,18,25H,3-4,9-10,14-15H2,1-2H3,(H,24,27)/p+1