N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide

Systemtic Name: N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide Openeye Name: N'-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide CAS Name: N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-N-[3-(1-imidazolyl)propyl]oxamide IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-N-(3-imidazol-1-ylpropyl)oxamide Traditional Name: N'-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide Formula: C22H26N4O6S2 MolecularWeight: 506.59504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H26N4O6S2/c1-31-17-7-6-16(13-18(17)32-2)19(34(29,30)20-5-3-12-33-20)14-25-22(28)21(27)24-8-4-10-26-11-9-23-15-26/h3,5-7,9,11-13,15,19H,4,8,10,14H2,1-2H3,(H,24,27)(H,25,28)