4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonylamino]benzoic acid Formula: C21H19NO4S2 MolecularWeight: 413.50986

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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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4S2/c1-14-3-8-19(13-15(14)2)27-18-9-11-20(12-10-18)28(25,26)22-17-6-4-16(5-7-17)21(23)24/h3-13,22H,1-2H3,(H,23,24)