1-[(2S)-2-(1,5-dipyridin-4-ylpentan-3-ylsulfonylmethyl)pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione

Systemtic Name: 1-[(2S)-2-(1,5-dipyridin-4-ylpentan-3-ylsulfonylmethyl)pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[(2S)-2-[[3-(4-pyridyl)-1-[2-(4-pyridyl)ethyl]propyl]sulfonylmethyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 1-[(2S)-2-(1,5-dipyridin-4-ylpentan-3-ylsulfonylmethyl)-1-pyrrolidinyl]-3,3-dimethylpentane-1,2-dione IUPAC Name: 1-[(2S)-2-(1,5-dipyridin-4-ylpentan-3-ylsulfonylmethyl)pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[(2S)-2-[[3-(4-pyridyl)-1-[2-(4-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=CC=NC=C2)CCC3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4S/c1-4-27(2,3)25(31)26(32)30-19-5-6-23(30)20-35(33,34)24(9-7-21-11-15-28-16-12-21)10-8-22-13-17-29-18-14-22/h11-18,23-24H,4-10,19-20H2,1-3H3/t23-/m0/s1