3,3-dimethyl-1-[(2S)-2-[(1-phenyl-6-pyridin-3-yl-hexan-3-yl)sulfonylmethyl]pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[(2S)-2-[(1-phenyl-6-pyridin-3-yl-hexan-3-yl)sulfonylmethyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[(2S)-2-[[1-phenethyl-4-(3-pyridyl)butyl]sulfonylmethyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[(2S)-2-[[1-phenyl-6-(3-pyridinyl)hexan-3-yl]sulfonylmethyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[(2S)-2-[(1-phenyl-6-pyridin-3-ylhexan-3-yl)sulfonylmethyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[(2S)-2-[[1-phenethyl-4-(3-pyridyl)butyl]sulfonylmethyl]pyrrolidino]pentane-1,2-dione Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1CS(=O)(=O)C(CCCC2=CN=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)C(CCCC2=CN=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C29H40N2O4S/c1-4-29(2,3)27(32)28(33)31-20-10-15-25(31)22-36(34,35)26(18-17-23-11-6-5-7-12-23)16-8-13-24-14-9-19-30-21-24/h5-7,9,11-12,14,19,21,25-26H,4,8,10,13,15-18,20,22H2,1-3H3/t25-,26?/m0/s1