N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide

Systemtic Name: N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-N-(3-pyridylmethyl)oxamide Formula: C22H23N3O6S2 MolecularWeight: 489.56452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H23N3O6S2/c1-30-17-8-7-16(11-18(17)31-2)19(33(28,29)20-6-4-10-32-20)14-25-22(27)21(26)24-13-15-5-3-9-23-12-15/h3-12,19H,13-14H2,1-2H3,(H,24,26)(H,25,27)