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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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