2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C20H18FNO6S MolecularWeight: 419.423423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C20H18FNO6S/c1-12-15(11-20(23)24)16-9-13(21)3-5-17(16)22(12)29(25,26)14-4-6-18-19(10-14)28-8-2-7-27-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,23,24)