(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H21FN2O4S2 MolecularWeight: 460.541543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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