N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-N-(4-fluoranyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-N-(4-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-[3-(dimethylamino)propyl]-2-esyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN(C)C)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN(C)C)C2=NC3=C(C=CC=C3S2)F

InChI

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