1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C18H27N3O3S2 MolecularWeight: 397.55528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C18H27N3O3S2/c1-14-6-5-7-15(2)21(14)18(22)13-25-17-9-8-16(12-19-17)26(23,24)20-10-3-4-11-20/h8-9,12,14-15H,3-7,10-11,13H2,1-2H3/t14-,15-/m1/s1