[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-piperidin-1-yl-methanone

Systemtic Name: [6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-piperidin-1-yl-methanone Openeye Name: [6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-(1-piperidyl)methanone CAS Name: [6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-(1-piperidinyl)methanone IUPAC Name: [6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone Traditional Name: [6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]-piperidino-methanone Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(=O)N4CCCCC4)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(=O)N4CCCCC4)OCO3

InChI

InChI=1S/C20H21NO5S/c1-27(23,24)15-7-5-14(6-8-15)16-11-18-19(26-13-25-18)12-17(16)20(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3