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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-N'-cyclohexyl-ethanediamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N'-cyclohexyl-oxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N'-cyclohexyloxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-N'-cyclohexyloxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-N'-cyclohexyl-oxamide Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N2O6S2/c24-20(21(25)23-15-5-2-1-3-6-15)22-12-18(31(26,27)19-7-4-10-30-19)14-8-9-16-17(11-14)29-13-28-16/h4,7-11,15,18H,1-3,5-6,12-13H2,(H,22,24)(H,23,25)