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

Systemtic Name: 3-methoxycarbonyl-2-methyl-5-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-4-carboxylic acid Openeye Name: 5-hydroxy-3-methoxycarbonyl-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-4-carboxylic acid CAS Name: 5-hydroxy-3-methoxycarbonyl-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-indolecarboxylic acid IUPAC Name: 5-hydroxy-3-methoxycarbonyl-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylindole-4-carboxylic acid Traditional Name: 3-carbomethoxy-5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-4-carboxylic acid Formula: C22H23NO7S MolecularWeight: 445.48552

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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)OC)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7S/c1-10-9-11(2)13(4)20(12(10)3)31(28,29)23-14(5)17(22(27)30-6)18-15(23)7-8-16(24)19(18)21(25)26/h7-9,24H,1-6H3,(H,25,26)