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

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N-phenethyl-ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-phenethyl-oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-phenethyloxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-phenethyloxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N-phenethyl-oxamide Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C(=O)NCCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C(=O)NCCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N2O6S2/c26-22(24-11-10-16-5-2-1-3-6-16)23(27)25-14-20(33(28,29)21-7-4-12-32-21)17-8-9-18-19(13-17)31-15-30-18/h1-9,12-13,20H,10-11,14-15H2,(H,24,26)(H,25,27)