5-[3-carboxy-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(4-methylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 5-[3-carboxy-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(4-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 5-[3-carboxy-4-(p-tolylsulfonylamino)phenyl]-2-(p-tolylsulfonylamino)benzoic acid CAS Name: 5-[3-carboxy-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-[3-carboxy-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 5-[3-carboxy-4-(tosylamino)phenyl]-2-(tosylamino)benzoic acid Formula: C28H24N2O8S2 MolecularWeight: 580.62876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)O)C(=O)O

InChI

InChI=1S/C28H24N2O8S2/c1-17-3-9-21(10-4-17)39(35,36)29-25-13-7-19(15-23(25)27(31)32)20-8-14-26(24(16-20)28(33)34)30-40(37,38)22-11-5-18(2)6-12-22/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)