N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-[3-(dimethylamino)propyl]-3-esyl-N-(6-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(=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

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