N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(2-diethylaminoethyl)-2-ethylsulfonyl-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(2-diethylaminoethyl)-2-ethylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-esyl-benzamide Formula: C22H25F2N3O3S2 MolecularWeight: 481.579006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=CC=C3S(=O)(=O)CC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=CC=C3S(=O)(=O)CC

InChI

InChI=1S/C22H25F2N3O3S2/c1-4-26(5-2)11-12-27(22-25-20-17(24)13-15(23)14-18(20)31-22)21(28)16-9-7-8-10-19(16)32(29,30)6-3/h7-10,13-14H,4-6,11-12H2,1-3H3