(E)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(1-azepanylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]acrylate Formula: C17H22NO6S- MolecularWeight: 368.42468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)[O-])S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)[O-])S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C17H23NO6S/c1-23-14-11-13(7-8-16(19)20)12-15(17(14)24-2)25(21,22)18-9-5-3-4-6-10-18/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)/p-1/b8-7+