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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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