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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-2-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-hydroxy-4-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-hydroxy-4-methylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-hydroxy-4-methylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-hydroxy-4-methyl-phenyl)acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-17-6-12-20(21(25)16-17)23-22(26)13-9-18-7-10-19(11-8-18)29(27,28)24-14-4-2-3-5-15-24/h6-13,16,25H,2-5,14-15H2,1H3,(H,23,26)/b13-9+