(E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)acrylamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-29-20-11-12-22(30-2)18(16-20)10-13-23(26)24-19-8-7-9-21(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)/b13-10+