1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[(3-morpholinosulfonylphenyl)methylsulfanyl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[(3-morpholinosulfonylbenzyl)thio]ethanone Formula: C20H30N2O4S2 MolecularWeight: 426.5932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H30N2O4S2/c1-16-5-3-6-17(2)22(16)20(23)15-27-14-18-7-4-8-19(13-18)28(24,25)21-9-11-26-12-10-21/h4,7-8,13,16-17H,3,5-6,9-12,14-15H2,1-2H3/t16-,17-/m1/s1