N-[2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-piperonylamide Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H19NO6S2/c1-26-16-7-4-14(5-8-16)19(30(24,25)20-3-2-10-29-20)12-22-21(23)15-6-9-17-18(11-15)28-13-27-17/h2-11,19H,12-13H2,1H3,(H,22,23)