ethyl (3S)-1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]nipecotic acid ethyl ester Formula: C18H25NO7S MolecularWeight: 399.4586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)CCCOC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)CCCOC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25NO7S/c1-2-23-18(20)14-5-3-8-19(12-14)27(21,22)10-4-9-24-15-6-7-16-17(11-15)26-13-25-16/h6-7,11,14H,2-5,8-10,12-13H2,1H3/t14-/m0/s1