1-(3-piperidin-1-ylsulfonylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(3-piperidin-1-ylsulfonylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-[3-(1-piperidylsulfonyl)phenyl]-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-[3-(1-piperidinylsulfonyl)phenyl]-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(3-piperidin-1-ylsulfonylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(3-piperidinosulfonylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C20H20F3N3O5S MolecularWeight: 471.45011

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O5S/c21-19(22,23)20(30-16-9-2-3-10-17(16)31-20)25-18(27)24-14-7-6-8-15(13-14)32(28,29)26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12H2,(H2,24,25,27)