2-[3-(4-ethylsulfonylphenoxy)-2-methyl-5-(trifluoromethyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-ethylsulfonylphenoxy)-2-methyl-5-(trifluoromethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-ethylsulfonylphenoxy)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid CAS Name: 2-[3-(4-ethylsulfonylphenoxy)-2-methyl-5-(trifluoromethyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-ethylsulfonylphenoxy)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(4-esylphenoxy)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid Formula: C20H18F3NO5S MolecularWeight: 441.42083

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)OC2=C(N(C3=C2C=C(C=C3)C(F)(F)F)CC(=O)O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)OC2=C(N(C3=C2C=C(C=C3)C(F)(F)F)CC(=O)O)C

InChI

InChI=1S/C20H18F3NO5S/c1-3-30(27,28)15-7-5-14(6-8-15)29-19-12(2)24(11-18(25)26)17-9-4-13(10-16(17)19)20(21,22)23/h4-10H,3,11H2,1-2H3,(H,25,26)