[1-(2-azanyl-3-sulfanyl-propanoyl)-4-(phenylmethyl)piperidin-4-yl] ethanoate; ethanoyl fluoride

Systemtic Name: [1-(2-azanyl-3-sulfanyl-propanoyl)-4-(phenylmethyl)piperidin-4-yl] ethanoate; ethanoyl fluoride Openeye Name: acetyl fluoride; [1-(2-amino-3-sulfanyl-propanoyl)-4-benzyl-4-piperidyl] acetate CAS Name: acetic acid [1-(2-amino-3-mercapto-1-oxopropyl)-4-(phenylmethyl)-4-piperidinyl] ester; acetyl fluoride IUPAC Name: acetyl fluoride; [1-(2-amino-3-sulfanylpropanoyl)-4-benzylpiperidin-4-yl] acetate Traditional Name: acetic acid [1-(2-amino-3-mercapto-propanoyl)-4-benzyl-4-piperidyl] ester; acetyl fluoride Formula: C23H33F3N2O6S MolecularWeight: 522.57813

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCN(CC1)C(=O)C(CS)N)CC2=CC=CC=C2.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC(=O)OC1(CCN(CC1)C(=O)C(CS)N)CC2=CC=CC=C2.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C17H24N2O3S.3C2H3FO/c1-13(20)22-17(11-14-5-3-2-4-6-14)7-9-19(10-8-17)16(21)15(18)12-23;3*1-2(3)4/h2-6,15,23H,7-12,18H2,1H3;3*1H3