3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-indole-4-carboxylic acid

Systemtic Name: 3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-indole-4-carboxylic acid Openeye Name: 3-ethoxy-5-hydroxy-2-methyl-1-(p-tolylsulfonyl)indole-4-carboxylic acid CAS Name: 3-ethoxy-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonyl-4-indolecarboxylic acid IUPAC Name: 3-ethoxy-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindole-4-carboxylic acid Traditional Name: 3-ethoxy-5-hydroxy-2-methyl-1-tosyl-indole-4-carboxylic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N(C2=C1C(=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC1=C(N(C2=C1C(=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C19H19NO6S/c1-4-26-18-12(3)20(27(24,25)13-7-5-11(2)6-8-13)14-9-10-15(21)17(16(14)18)19(22)23/h5-10,21H,4H2,1-3H3,(H,22,23)