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

Systemtic Name: 2-bromanyl-5-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[[2-(1-piperidylmethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[2-(1-piperidinylmethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[2-(piperidinomethyl)benzyl]sulfamoyl]benzoic acid Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H23BrN2O4S/c21-19-9-8-17(12-18(19)20(24)25)28(26,27)22-13-15-6-2-3-7-16(15)14-23-10-4-1-5-11-23/h2-3,6-9,12,22H,1,4-5,10-11,13-14H2,(H,24,25)