2-bromanyl-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[2-(1-pyrrolidinylmethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[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=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

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

InChI

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