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

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(pyridin-2-ylmethyl)ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-(2-pyridylmethyl)oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-(2-pyridinylmethyl)oxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-(2-pyridylmethyl)oxamide Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C(=O)NCC3=CC=CC=N3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C(=O)NCC3=CC=CC=N3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H19N3O6S2/c25-20(23-11-15-4-1-2-8-22-15)21(26)24-12-18(32(27,28)19-5-3-9-31-19)14-6-7-16-17(10-14)30-13-29-16/h1-10,18H,11-13H2,(H,23,25)(H,24,26)