N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-fluorophenyl)ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(4-fluorophenyl)ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(4-fluorophenyl)acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-fluorophenyl)acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(4-fluorophenyl)acetamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(4-fluorophenyl)acetamide Formula: C21H18FNO5S2 MolecularWeight: 447.499723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)CC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)CC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H18FNO5S2/c22-16-6-3-14(4-7-16)10-20(24)23-12-19(30(25,26)21-2-1-9-29-21)15-5-8-17-18(11-15)28-13-27-17/h1-9,11,19H,10,12-13H2,(H,23,24)