2-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]phenyl]acetic acid CAS Name: 2-[4-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonylamino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonylamino]phenyl]acetic acid Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CC(=O)O)C

InChI

InChI=1S/C22H21NO4S2/c1-15-3-8-20(13-16(15)2)28-19-9-11-21(12-10-19)29(26,27)23-18-6-4-17(5-7-18)14-22(24)25/h3-13,23H,14H2,1-2H3,(H,24,25)