(E)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylamide Formula: C22H22FN3O4S2 MolecularWeight: 475.556183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22FN3O4S2/c1-30-18-9-5-15(13-20(18)32(28,29)26-11-3-2-4-12-26)6-10-21(27)25-22-24-17-8-7-16(23)14-19(17)31-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,25,27)/b10-6+