N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-N-(pyridin-4-ylmethyl)ethanediamide

Systemtic Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-N-(pyridin-4-ylmethyl)ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-N-(4-pyridylmethyl)oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-N-(pyridin-4-ylmethyl)oxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-N-(pyridin-4-ylmethyl)oxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-N-(4-pyridylmethyl)oxamide Formula: C22H20N4O6S MolecularWeight: 468.4824

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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)NCC3=CC=NC=C3)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C(=O)NCC3=CC=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H20N4O6S/c27-21(25-11-15-5-8-23-9-6-15)22(28)26-13-20(16-2-1-7-24-12-16)33(29,30)17-3-4-18-19(10-17)32-14-31-18/h1-10,12,20H,11,13-14H2,(H,25,27)(H,26,28)