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

Systemtic Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-N-(2-thiophen-2-ylethyl)ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-N-[2-(2-thienyl)ethyl]oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-N-(2-thiophen-2-ylethyl)oxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-N-(2-thiophen-2-ylethyl)oxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-N-[2-(2-thienyl)ethyl]oxamide Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C(=O)NCCC3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C(=O)NCCC3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C22H21N3O6S2/c26-21(24-9-7-16-4-2-10-32-16)22(27)25-13-20(15-3-1-8-23-12-15)33(28,29)17-5-6-18-19(11-17)31-14-30-18/h1-6,8,10-12,20H,7,9,13-14H2,(H,24,26)(H,25,27)