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

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(phenylmethyl)ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-benzyl-oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-(phenylmethyl)oxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-benzyloxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-benzyl-oxamide Formula: C22H20N2O6S2 MolecularWeight: 472.534

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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=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2O6S2/c25-21(23-12-15-5-2-1-3-6-15)22(26)24-13-19(32(27,28)20-7-4-10-31-20)16-8-9-17-18(11-16)30-14-29-17/h1-11,19H,12-14H2,(H,23,25)(H,24,26)