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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]cyclohexanecarboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]cyclohexanecarboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]cyclohexanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]cyclohexanecarboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]cyclohexanecarboxamide Formula: C20H23NO5S2 MolecularWeight: 421.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S2/c22-20(14-5-2-1-3-6-14)21-12-18(28(23,24)19-7-4-10-27-19)15-8-9-16-17(11-15)26-13-25-16/h4,7-11,14,18H,1-3,5-6,12-13H2,(H,21,22)