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

Systemtic Name: N-(4-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-4-piperidinosulfonyl-benzamide Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

Click to see the large picture

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/C22H22FN3O3S2/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/h2,6-12H,1,3-5,13-15H2