(2-phenyl-1,3-thiazol-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H21FN2O4S2 MolecularWeight: 460.541543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H21FN2O4S2/c23-19-10-9-17(13-20(19)31(27,28)25-11-5-2-6-12-25)22(26)29-14-18-15-30-21(24-18)16-7-3-1-4-8-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2