1-[4-[(2S)-3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2S)-3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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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)N3CCCCCC3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)O

InChI

InChI=1S/C23H30N2O5S2/c1-2-22(27)18-7-9-20(10-8-18)30-16-19(26)17-31-23-12-11-21(15-24-23)32(28,29)25-13-5-3-4-6-14-25/h7-12,15,19,26H,2-6,13-14,16-17H2,1H3/t19-/m0/s1