2-[1-(1,2,3-benzothiadiazol-4-ylsulfonyl)-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(1,2,3-benzothiadiazol-4-ylsulfonyl)-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(1,2,3-benzothiadiazol-4-ylsulfonyl)-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(1,2,3-benzothiadiazol-4-ylsulfonyl)-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(1,2,3-benzothiadiazol-4-ylsulfonyl)-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(1,2,3-benzothiadiazol-4-ylsulfonyl)-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C17H12FN3O4S2 MolecularWeight: 405.423283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC4=C3N=NS4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC4=C3N=NS4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C17H12FN3O4S2/c1-9-11(8-16(22)23)12-7-10(18)5-6-13(12)21(9)27(24,25)15-4-2-3-14-17(15)19-20-26-14/h2-7H,8H2,1H3,(H,22,23)