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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N'-butan-2-yl-ethanediamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N'-sec-butyl-oxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N'-butan-2-yloxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N'-butan-2-yloxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N'-sec-butyl-oxamide Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-3-12(2)21-19(23)18(22)20-10-16(29(24,25)17-5-4-8-28-17)13-6-7-14-15(9-13)27-11-26-14/h4-9,12,16H,3,10-11H2,1-2H3,(H,20,22)(H,21,23)