1-[4-[2-oxidanyl-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-oxidanyl-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-hydroxy-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-hydroxy-3-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propoxy]phenyl]propan-1-one Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-2-20(25)16-5-7-18(8-6-16)28-14-17(24)15-29-21-10-9-19(13-22-21)30(26,27)23-11-3-4-12-23/h5-10,13,17,24H,2-4,11-12,14-15H2,1H3