3-cyclohexyl-2-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonyl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonyl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-(4-hydroxyphenyl)-1-(p-tolylsulfonyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonyl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-(4-hydroxyphenyl)-1-tosyl-indole-6-carboxylic acid Formula: C28H27NO5S MolecularWeight: 489.58268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=C(C=C4)O)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=C(C=C4)O)C5CCCCC5

InChI

InChI=1S/C28H27NO5S/c1-18-7-14-23(15-8-18)35(33,34)29-25-17-21(28(31)32)11-16-24(25)26(19-5-3-2-4-6-19)27(29)20-9-12-22(30)13-10-20/h7-17,19,30H,2-6H2,1H3,(H,31,32)