(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H23FN4O4S MolecularWeight: 482.527223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H23FN4O4S/c1-17-22(14-26)23(29(27-17)20-7-3-2-4-8-20)16-33-24(30)18-6-5-13-28(15-18)34(31,32)21-11-9-19(25)10-12-21/h2-4,7-12,18H,5-6,13,15-16H2,1H3