4-bromanyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 4-bromo-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 4-bromo-3-[[2-(1-pyrrolidinylmethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 4-bromo-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 4-bromo-3-[[2-(pyrrolidinomethyl)benzyl]sulfamoyl]benzoic acid Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Br

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C19H21BrN2O4S/c20-17-8-7-14(19(23)24)11-18(17)27(25,26)21-12-15-5-1-2-6-16(15)13-22-9-3-4-10-22/h1-2,5-8,11,21H,3-4,9-10,12-13H2,(H,23,24)