N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-piperidinosulfonyl-benzamide Formula: C22H20FN3O3S2 MolecularWeight: 457.540903

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)F

Isomeric SMILES

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)F

InChI

InChI=1S/C22H20FN3O3S2/c1-2-13-26-20-18(23)7-6-8-19(20)30-22(26)24-21(27)16-9-11-17(12-10-16)31(28,29)25-14-4-3-5-15-25/h1,6-12H,3-5,13-15H2