N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-ethanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-ethanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-acetamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-acetamide Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S2/c1-4-15-6-5-7-18-20(15)23-21(29-18)25(13-12-24(2)3)19(26)14-30(27,28)17-10-8-16(22)9-11-17/h5-11H,4,12-14H2,1-3H3