N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-mesyl-benzamide Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O3S2/c1-4-24(5-2)12-13-25(21-23-19-17(22)10-7-11-18(19)29-21)20(26)15-8-6-9-16(14-15)30(3,27)28/h6-11,14H,4-5,12-13H2,1-3H3