1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(phenylmethyl)sulfonylethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(phenylmethyl)sulfonylethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-benzylsulfonylethyl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(phenylmethyl)sulfonylethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-benzylsulfonylethyl)urea Traditional Name: 1-(2-benzylsulfonylethyl)-3-piperonyl-urea Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S/c21-18(20-11-15-6-7-16-17(10-15)25-13-24-16)19-8-9-26(22,23)12-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2,(H2,19,20,21)