2-bromanyl-5-[(4-pentylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(4-pentylphenyl)sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[(4-pentylphenyl)sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[(4-pentylphenyl)sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[(4-pentylphenyl)sulfamoyl]benzoic acid Traditional Name: 5-[(4-amylphenyl)sulfamoyl]-2-bromo-benzoic acid Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H20BrNO4S/c1-2-3-4-5-13-6-8-14(9-7-13)20-25(23,24)15-10-11-17(19)16(12-15)18(21)22/h6-12,20H,2-5H2,1H3,(H,21,22)