5-pentyl-2-(phenylsulfonylamino)benzoic acid

Systemtic Name: 5-pentyl-2-(phenylsulfonylamino)benzoic acid Openeye Name: 2-(benzenesulfonamido)-5-pentyl-benzoic acid CAS Name: 2-(benzenesulfonamido)-5-pentylbenzoic acid IUPAC Name: 2-(benzenesulfonamido)-5-pentylbenzoic acid Traditional Name: 5-amyl-2-(benzenesulfonamido)benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-2-3-5-8-14-11-12-17(16(13-14)18(20)21)19-24(22,23)15-9-6-4-7-10-15/h4,6-7,9-13,19H,2-3,5,8H2,1H3,(H,20,21)