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

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)phenyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-29-21-12-10-18(16-22(21)30-2)11-13-23(26)24-19-8-7-9-20(17-19)31(27,28)25-14-5-3-4-6-15-25/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,24,26)/b13-11+