4-[[(4-hydroxyphenyl)sulfonyl-(4-methyl-3-oxidanyl-phenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-hydroxyphenyl)sulfonyl-(4-methyl-3-oxidanyl-phenyl)amino]methyl]benzoic acid Openeye Name: 4-[(3-hydroxy-N-(4-hydroxyphenyl)sulfonyl-4-methyl-anilino)methyl]benzoic acid CAS Name: 4-[(3-hydroxy-N-(4-hydroxyphenyl)sulfonyl-4-methylanilino)methyl]benzoic acid IUPAC Name: 4-[(3-hydroxy-N-(4-hydroxyphenyl)sulfonyl-4-methylanilino)methyl]benzoic acid Traditional Name: 4-[(3-hydroxy-N-(4-hydroxyphenyl)sulfonyl-4-methyl-anilino)methyl]benzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C21H19NO6S/c1-14-2-7-17(12-20(14)24)22(13-15-3-5-16(6-4-15)21(25)26)29(27,28)19-10-8-18(23)9-11-19/h2-12,23-24H,13H2,1H3,(H,25,26)