4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(2,5-dimethylphenyl)thio]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(2,5-dimethylphenyl)thio]phenyl]sulfonylamino]benzoic acid Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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