N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-methylsulfonyl-piperidin-4-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-methylsulfonyl-piperidin-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-methylsulfonyl-4-piperidyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-methylsulfonyl-4-piperidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]acetamide Traditional Name: 2-[(3R,4S)-3-ethyl-1-mesyl-4-piperidyl]-N-piperonyl-acetamide Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O5S/c1-3-14-11-20(26(2,22)23)7-6-15(14)9-18(21)19-10-13-4-5-16-17(8-13)25-12-24-16/h4-5,8,14-15H,3,6-7,9-12H2,1-2H3,(H,19,21)/t14-,15-/m0/s1