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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(2-diethylaminoethyl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-mesyl-benzamide Formula: C21H23F2N3O3S2 MolecularWeight: 467.552426

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23F2N3O3S2/c1-4-25(5-2)9-10-26(20(27)14-7-6-8-16(11-14)31(3,28)29)21-24-19-17(23)12-15(22)13-18(19)30-21/h6-8,11-13H,4-5,9-10H2,1-3H3