1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(methylthio)phenyl]isonipecotamide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O5S2/c1-29-20-5-3-2-4-17(20)22-21(24)15-8-10-23(11-9-15)30(25,26)16-6-7-18-19(14-16)28-13-12-27-18/h2-7,14-15H,8-13H2,1H3,(H,22,24)