ethyl 1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methyl]isonipecotic acid ethyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C23H27NO6S/c1-3-28-23(25)17-8-10-24(11-9-17)14-18-12-21-22(30-15-29-21)13-20(18)16-4-6-19(7-5-16)31(2,26)27/h4-7,12-13,17H,3,8-11,14-15H2,1-2H3