1-[(2S)-2-(1,5-dipyridin-3-ylpentan-3-ylsulfonylmethyl)pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione

Systemtic Name: 1-[(2S)-2-(1,5-dipyridin-3-ylpentan-3-ylsulfonylmethyl)pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[(2S)-2-[[3-(3-pyridyl)-1-[2-(3-pyridyl)ethyl]propyl]sulfonylmethyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 1-[(2S)-2-[1,5-bis(3-pyridinyl)pentan-3-ylsulfonylmethyl]-1-pyrrolidinyl]-3,3-dimethylpentane-1,2-dione IUPAC Name: 1-[(2S)-2-(1,5-dipyridin-3-ylpentan-3-ylsulfonylmethyl)pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[(2S)-2-[[3-(3-pyridyl)-1-[2-(3-pyridyl)ethyl]propyl]sulfonylmethyl]pyrrolidino]pentane-1,2-dione Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1CS(=O)(=O)C(CCC2=CN=CC=C2)CCC3=CN=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)C(CCC2=CN=CC=C2)CCC3=CN=CC=C3

InChI

InChI=1S/C27H37N3O4S/c1-4-27(2,3)25(31)26(32)30-17-7-10-23(30)20-35(33,34)24(13-11-21-8-5-15-28-18-21)14-12-22-9-6-16-29-19-22/h5-6,8-9,15-16,18-19,23-24H,4,7,10-14,17,20H2,1-3H3/t23-/m0/s1