2-[(4-octylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-[(4-octylphenyl)sulfamoyl]benzoic acid Openeye Name: 2-[(4-octylphenyl)sulfamoyl]benzoic acid CAS Name: 2-[(4-octylphenyl)sulfamoyl]benzoic acid IUPAC Name: 2-[(4-octylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-[(4-octylphenyl)sulfamoyl]benzoic acid Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)22-27(25,26)20-12-9-8-11-19(20)21(23)24/h8-9,11-16,22H,2-7,10H2,1H3,(H,23,24)