ethanoyl fluoride; 4-(1-piperidin-4-ylpyrrolidin-3-yl)sulfonylphenol

Systemtic Name: ethanoyl fluoride; 4-(1-piperidin-4-ylpyrrolidin-3-yl)sulfonylphenol Openeye Name: acetyl fluoride; 4-[1-(4-piperidyl)pyrrolidin-3-yl]sulfonylphenol CAS Name: acetyl fluoride; 4-[[1-(4-piperidinyl)-3-pyrrolidinyl]sulfonyl]phenol IUPAC Name: acetyl fluoride; 4-(1-piperidin-4-ylpyrrolidin-3-yl)sulfonylphenol Traditional Name: acetyl fluoride; 4-[1-(4-piperidyl)pyrrolidin-3-yl]sulfonylphenol Formula: C21H31F3N2O6S MolecularWeight: 496.54085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1CNCCC1N2CCC(C2)S(=O)(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1CNCCC1N2CCC(C2)S(=O)(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C15H22N2O3S.3C2H3FO/c18-13-1-3-14(4-2-13)21(19,20)15-7-10-17(11-15)12-5-8-16-9-6-12;3*1-2(3)4/h1-4,12,15-16,18H,5-11H2;3*1H3