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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O4S/c1-28-20-12-9-18(10-13-20)11-14-22(25)23-19-7-6-8-21(17-19)29(26,27)24-15-4-2-3-5-16-24/h6-14,17H,2-5,15-16H2,1H3,(H,23,25)/b14-11+