3,3-dimethyl-1-[(2S)-2-(3-pyridin-3-ylpropylsulfonylmethyl)pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[(2S)-2-(3-pyridin-3-ylpropylsulfonylmethyl)pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[(2S)-2-[3-(3-pyridyl)propylsulfonylmethyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[(2S)-2-[3-(3-pyridinyl)propylsulfonylmethyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[(2S)-2-(3-pyridin-3-ylpropylsulfonylmethyl)pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[(2S)-2-[3-(3-pyridyl)propylsulfonylmethyl]pyrrolidino]pentane-1,2-dione Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1CS(=O)(=O)CCCC2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)CCCC2=CN=CC=C2

InChI

InChI=1S/C20H30N2O4S/c1-4-20(2,3)18(23)19(24)22-12-6-10-17(22)15-27(25,26)13-7-9-16-8-5-11-21-14-16/h5,8,11,14,17H,4,6-7,9-10,12-13,15H2,1-3H3/t17-/m0/s1