4-[2-[(4-cyanophenyl)sulfonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-cyanophenyl)sulfonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-cyanophenyl)sulfonylamino]phenoxy]phthalic acid CAS Name: 4-[2-[(4-cyanophenyl)sulfonylamino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-cyanophenyl)sulfonylamino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-cyanophenyl)sulfonylamino]phenoxy]phthalic acid Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H14N2O7S/c22-12-13-5-8-15(9-6-13)31(28,29)23-18-3-1-2-4-19(18)30-14-7-10-16(20(24)25)17(11-14)21(26)27/h1-11,23H,(H,24,25)(H,26,27)