N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-[3-(1-imidazolyl)propyl]oxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-imidazol-1-ylpropyl)oxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C(=O)NCCCN3C=CN=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C(=O)NCCCN3C=CN=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O6S2/c26-20(23-6-2-8-25-9-7-22-13-25)21(27)24-12-18(33(28,29)19-3-1-10-32-19)15-4-5-16-17(11-15)31-14-30-16/h1,3-5,7,9-11,13,18H,2,6,8,12,14H2,(H,23,26)(H,24,27)