4-[9,10-bis(oxidanyl)octadecylcarbamoyl]-2-(phenylsulfonylamino)benzoic acid

Systemtic Name: 4-[9,10-bis(oxidanyl)octadecylcarbamoyl]-2-(phenylsulfonylamino)benzoic acid Openeye Name: 2-(benzenesulfonamido)-4-(9,10-dihydroxyoctadecylcarbamoyl)benzoic acid CAS Name: 2-(benzenesulfonamido)-4-[(9,10-dihydroxyoctadecylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(benzenesulfonamido)-4-(9,10-dihydroxyoctadecylcarbamoyl)benzoic acid Traditional Name: 2-(benzenesulfonamido)-4-(9,10-dihydroxyoctadecylcarbamoyl)benzoic acid Formula: C32H48N2O7S MolecularWeight: 604.79772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C32H48N2O7S/c1-2-3-4-5-8-14-19-29(35)30(36)20-15-9-6-7-10-16-23-33-31(37)25-21-22-27(32(38)39)28(24-25)34-42(40,41)26-17-12-11-13-18-26/h11-13,17-18,21-22,24,29-30,34-36H,2-10,14-16,19-20,23H2,1H3,(H,33,37)(H,38,39)