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

Systemtic Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: (2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-[(2R,6R)-2,6-dimethylpiperidino]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C19H29N3O3S2/c1-14-7-6-8-15(2)22(14)19(23)16(3)26-18-10-9-17(13-20-18)27(24,25)21-11-4-5-12-21/h9-10,13-16H,4-8,11-12H2,1-3H3/t14-,15-,16-/m1/s1