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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-methyl-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-5-nitro-phenyl)acrylamide Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25N3O5S/c1-17-6-10-19(25(27)28)16-21(17)23-22(26)13-9-18-7-11-20(12-8-18)31(29,30)24-14-4-2-3-5-15-24/h6-13,16H,2-5,14-15H2,1H3,(H,23,26)/b13-9+