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

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N-prop-2-enyl-ethanediamide Openeye Name: N-allyl-N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide Traditional Name: N-allyl-N'-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]oxamide Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C=CCNC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O6S2/c1-2-7-19-17(21)18(22)20-10-15(28(23,24)16-4-3-8-27-16)12-5-6-13-14(9-12)26-11-25-13/h2-6,8-9,15H,1,7,10-11H2,(H,19,21)(H,20,22)