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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN(C2=C1C(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CC1=CN(C2=C1C(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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