N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-piperonylamide Formula: C21H17NO7S2 MolecularWeight: 459.49218

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H17NO7S2/c23-21(14-4-6-16-18(9-14)29-12-27-16)22-10-19(31(24,25)20-2-1-7-30-20)13-3-5-15-17(8-13)28-11-26-15/h1-9,19H,10-12H2,(H,22,23)