N-(6-butyl-1,3-benzothiazol-2-yl)-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-fluoro-5-morpholinosulfonyl-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-fluoro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-fluoro-5-morpholinosulfonyl-benzamide Formula: C22H24FN3O4S2 MolecularWeight: 477.572063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C22H24FN3O4S2/c1-2-3-4-15-5-8-19-20(13-15)31-22(24-19)25-21(27)17-14-16(6-7-18(17)23)32(28,29)26-9-11-30-12-10-26/h5-8,13-14H,2-4,9-12H2,1H3,(H,24,25,27)