2-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-1H-indol-4-yl]oxy]-2-(4-methylphenyl)sulfonyl-ethanoic acid

Systemtic Name: 2-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-1H-indol-4-yl]oxy]-2-(4-methylphenyl)sulfonyl-ethanoic acid Openeye Name: 2-[[3-(2-ethoxy-2-oxo-ethyl)-1H-indol-4-yl]oxy]-2-(p-tolylsulfonyl)acetic acid CAS Name: 2-[[3-(2-ethoxy-2-oxoethyl)-1H-indol-4-yl]oxy]-2-(4-methylphenyl)sulfonylacetic acid IUPAC Name: 2-[[3-(2-ethoxy-2-oxoethyl)-1H-indol-4-yl]oxy]-2-(4-methylphenyl)sulfonylacetic acid Traditional Name: 2-[[3-(2-ethoxy-2-keto-ethyl)-1H-indol-4-yl]oxy]-2-tosyl-acetic acid Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CNC2=C1C(=CC=C2)OC(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CC1=CNC2=C1C(=CC=C2)OC(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO7S/c1-3-28-18(23)11-14-12-22-16-5-4-6-17(19(14)16)29-21(20(24)25)30(26,27)15-9-7-13(2)8-10-15/h4-10,12,21-22H,3,11H2,1-2H3,(H,24,25)