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

Systemtic Name: N-[3-ethyl-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C20H19F2N3O3S2 MolecularWeight: 451.509966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2N3O3S2/c1-2-25-18-16(22)11-14(21)12-17(18)29-20(25)23-19(26)13-5-7-15(8-6-13)30(27,28)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3