1-[4-[4-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-[4-[4-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-hydroxyphenyl)propyl]-3-methyl-phenyl]sulfonylindoline-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-hydroxyphenyl)propyl]-3-methyl-phenyl]sulfonylindoline-2-carboxylic acid Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O)C(CCC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O)C(CCC4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C26H25NO7S/c1-16-14-20(35(33,34)27-23-5-3-2-4-18(23)15-24(27)26(31)32)11-13-21(16)22(25(29)30)12-8-17-6-9-19(28)10-7-17/h2-7,9-11,13-14,22,24,28H,8,12,15H2,1H3,(H,29,30)(H,31,32)