3-(5-fluoranyl-2-methyl-1,3-benzothiazol-4-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-fluoranyl-2-methyl-1,3-benzothiazol-4-yl)propane-1-sulfonic acid Openeye Name: 3-(5-fluoro-2-methyl-1,3-benzothiazol-4-yl)propane-1-sulfonic acid CAS Name: 3-(5-fluoro-2-methyl-1,3-benzothiazol-4-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-fluoro-2-methyl-1,3-benzothiazol-4-yl)propane-1-sulfonic acid Traditional Name: 3-(5-fluoro-2-methyl-1,3-benzothiazol-4-yl)propane-1-sulfonic acid Formula: C11H12FNO3S2 MolecularWeight: 289.346283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2CCCS(=O)(=O)O)F

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2CCCS(=O)(=O)O)F

InChI

InChI=1S/C11H12FNO3S2/c1-7-13-11-8(3-2-6-18(14,15)16)9(12)4-5-10(11)17-7/h4-5H,2-3,6H2,1H3,(H,14,15,16)