2-azanyl-1-(4-ethanoyl-4-phenyl-piperidin-1-yl)-3-sulfanyl-propan-1-one; ethanoyl fluoride

Systemtic Name: 2-azanyl-1-(4-ethanoyl-4-phenyl-piperidin-1-yl)-3-sulfanyl-propan-1-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 1-(4-acetyl-4-phenyl-1-piperidyl)-2-amino-3-sulfanyl-propan-1-one CAS Name: acetyl fluoride; 1-(4-acetyl-4-phenyl-1-piperidinyl)-2-amino-3-mercapto-1-propanone IUPAC Name: acetyl fluoride; 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-sulfanylpropan-1-one Traditional Name: acetyl fluoride; 1-(4-acetyl-4-phenyl-piperidino)-2-amino-3-mercapto-propan-1-one Formula: C22H31F3N2O5S MolecularWeight: 492.55215

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C(CS)N)C2=CC=CC=C2.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C(CS)N)C2=CC=CC=C2.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C16H22N2O2S.3C2H3FO/c1-12(19)16(13-5-3-2-4-6-13)7-9-18(10-8-16)15(20)14(17)11-21;3*1-2(3)4/h2-6,14,21H,7-11,17H2,1H3;3*1H3