N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C21H17F2N3O3S2 MolecularWeight: 461.504786

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)F)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)F)F

InChI

InChI=1S/C21H17F2N3O3S2/c1-2-9-26-19-17(23)12-15(22)13-18(19)30-21(26)24-20(27)14-5-7-16(8-6-14)31(28,29)25-10-3-4-11-25/h1,5-8,12-13H,3-4,9-11H2