3-[3,4-bis[(4-methylphenyl)sulfonylamino]phenoxy]benzoic acid

Systemtic Name: 3-[3,4-bis[(4-methylphenyl)sulfonylamino]phenoxy]benzoic acid Openeye Name: 3-[3,4-bis(p-tolylsulfonylamino)phenoxy]benzoic acid CAS Name: 3-[3,4-bis[(4-methylphenyl)sulfonylamino]phenoxy]benzoic acid IUPAC Name: 3-[3,4-bis[(4-methylphenyl)sulfonylamino]phenoxy]benzoic acid Traditional Name: 3-[3,4-bis(tosylamino)phenoxy]benzoic acid Formula: C27H24N2O7S2 MolecularWeight: 552.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC3=CC=CC(=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC3=CC=CC(=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H24N2O7S2/c1-18-6-11-23(12-7-18)37(32,33)28-25-15-10-22(36-21-5-3-4-20(16-21)27(30)31)17-26(25)29-38(34,35)24-13-8-19(2)9-14-24/h3-17,28-29H,1-2H3,(H,30,31)