ethyl 1-[1,3-benzothiazol-2-yl-bis(fluoranyl)methyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1,3-benzothiazol-2-yl-bis(fluoranyl)methyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1,3-benzothiazol-2-yl(difluoro)methyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[1,3-benzothiazol-2-yl(difluoro)methyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,3-benzothiazol-2-yl(difluoro)methyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[1,3-benzothiazol-2-yl(difluoro)methyl]sulfonylisonipecotic acid ethyl ester Formula: C16H18F2N2O4S2 MolecularWeight: 404.451926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C(C2=NC3=CC=CC=C3S2)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C(C2=NC3=CC=CC=C3S2)(F)F

InChI

InChI=1S/C16H18F2N2O4S2/c1-2-24-14(21)11-7-9-20(10-8-11)26(22,23)16(17,18)15-19-12-5-3-4-6-13(12)25-15/h3-6,11H,2,7-10H2,1H3