3-ethanoyl-2-methyl-5-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-4-carboxylic acid

Systemtic Name: 3-ethanoyl-2-methyl-5-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-4-carboxylic acid Openeye Name: 3-acetyl-5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-4-carboxylic acid CAS Name: 3-acetyl-5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-indolecarboxylic acid IUPAC Name: 3-acetyl-5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylindole-4-carboxylic acid Traditional Name: 3-acetyl-5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-4-carboxylic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3C(=O)O)O)C(=O)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3C(=O)O)O)C(=O)C)C)C)C

InChI

InChI=1S/C22H23NO6S/c1-10-9-11(2)13(4)21(12(10)3)30(28,29)23-14(5)18(15(6)24)19-16(23)7-8-17(25)20(19)22(26)27/h7-9,25H,1-6H3,(H,26,27)