(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluoranyl-5-methyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluoranyl-5-methyl-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluoro-5-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-fluoro-5-methylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-fluoro-5-methyl-phenyl)acrylamide Formula: C22H25FN2O3S MolecularWeight: 416.508903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25FN2O3S/c1-17-6-12-20(23)21(16-17)24-22(26)13-9-18-7-10-19(11-8-18)29(27,28)25-14-4-2-3-5-15-25/h6-13,16H,2-5,14-15H2,1H3,(H,24,26)/b13-9+