1-(2-tert-butylphenoxy)-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-2-ol

Systemtic Name: 1-(2-tert-butylphenoxy)-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-2-ol Openeye Name: 1-(2-tert-butylphenoxy)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-2-ol CAS Name: 1-(2-tert-butylphenoxy)-3-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-2-propanol IUPAC Name: 1-(2-tert-butylphenoxy)-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-2-ol Traditional Name: 1-(2-tert-butylphenoxy)-3-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-2-ol Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C22H30N2O4S2/c1-22(2,3)19-8-4-5-9-20(19)28-15-17(25)16-29-21-11-10-18(14-23-21)30(26,27)24-12-6-7-13-24/h4-5,8-11,14,17,25H,6-7,12-13,15-16H2,1-3H3