2-bromanyl-5-[[2-(dimethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[[2-(dimethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[[2-(dimethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[2-(dimethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[2-(dimethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[2-(dimethylaminomethyl)benzyl]sulfamoyl]benzoic acid Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H19BrN2O4S/c1-20(2)11-13-6-4-3-5-12(13)10-19-25(23,24)14-7-8-16(18)15(9-14)17(21)22/h3-9,19H,10-11H2,1-2H3,(H,21,22)