2-[2-azanylidene-4-ethyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride

Systemtic Name: 2-[2-azanylidene-4-ethyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride Openeye Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride CAS Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride IUPAC Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride Traditional Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride Formula: C12H15ClF3N3O3S2 MolecularWeight: 405.84401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C1N(C(=N)S2)CCS(=O)(=O)N)OC(F)(F)F.Cl

Isomeric SMILES

CCC1=CC(=CC2=C1N(C(=N)S2)CCS(=O)(=O)N)OC(F)(F)F.Cl

InChI

InChI=1S/C12H14F3N3O3S2.ClH/c1-2-7-5-8(21-12(13,14)15)6-9-10(7)18(11(16)22-9)3-4-23(17,19)20;/h5-6,16H,2-4H2,1H3,(H2,17,19,20);1H