4-bromanyl-3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 4-bromo-3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 4-bromo-3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 4-bromo-3-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 4-bromo-3-[[2-(diethylaminomethyl)benzyl]sulfamoyl]benzoic acid Formula: C19H23BrN2O4S MolecularWeight: 455.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O4S/c1-3-22(4-2)13-16-8-6-5-7-15(16)12-21-27(25,26)18-11-14(19(23)24)9-10-17(18)20/h5-11,21H,3-4,12-13H2,1-2H3,(H,23,24)