4-(azepan-1-ylsulfonyl)-N-[4,6-bis(fluoranyl)-3-methyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4,6-bis(fluoranyl)-3-methyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H21F2N3O3S2 MolecularWeight: 465.536546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F)F

Isomeric SMILES

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F)F

InChI

InChI=1S/C21H21F2N3O3S2/c1-25-19-17(23)12-15(22)13-18(19)30-21(25)24-20(27)14-6-8-16(9-7-14)31(28,29)26-10-4-2-3-5-11-26/h6-9,12-13H,2-5,10-11H2,1H3