3-(2-methylsulfonylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine

Systemtic Name: 3-(2-methylsulfonylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-(2-methylsulfonylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-(2-methylsulfonylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-(2-methylsulfonylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: [3-(2-mesylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C11H12F3N2O3S2+ MolecularWeight: 341.34979

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

Isomeric SMILES

CS(=O)(=O)CC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

InChI

InChI=1S/C11H11F3N2O3S2/c1-21(17,18)5-4-16-8-3-2-7(19-11(12,13)14)6-9(8)20-10(16)15/h2-3,6,15H,4-5H2,1H3/p+1