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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C23H27NO6S/c1-3-28-23(25)17-5-4-10-24(13-17)14-18-11-21-22(30-15-29-21)12-20(18)16-6-8-19(9-7-16)31(2,26)27/h6-9,11-12,17H,3-5,10,13-15H2,1-2H3