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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)acrylamide Formula: C20H18FN3O4S2 MolecularWeight: 447.503023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C=CC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H18FN3O4S2/c21-15-6-5-14(13-18(15)30(26,27)24-9-11-28-12-10-24)22-19(25)7-8-20-23-16-3-1-2-4-17(16)29-20/h1-8,13H,9-12H2,(H,22,25)/b8-7+