2-[1-[(2,2-dimethyl-3H-1,4-benzodioxin-6-yl)sulfonyl]-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(2,2-dimethyl-3H-1,4-benzodioxin-6-yl)sulfonyl]-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(2,2-dimethyl-3H-1,4-benzodioxin-6-yl)sulfonyl]-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(2,2-dimethyl-3H-1,4-benzodioxin-6-yl)sulfonyl]-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-[(2,2-dimethyl-3H-1,4-benzodioxin-6-yl)sulfonyl]-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-[(2,2-dimethyl-3H-1,4-benzodioxin-6-yl)sulfonyl]-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C21H20FNO6S MolecularWeight: 433.450003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC4=C(C=C3)OC(CO4)(C)C)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC4=C(C=C3)OC(CO4)(C)C)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C21H20FNO6S/c1-12-15(10-20(24)25)16-8-13(22)4-6-17(16)23(12)30(26,27)14-5-7-18-19(9-14)28-11-21(2,3)29-18/h4-9H,10-11H2,1-3H3,(H,24,25)