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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)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-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylnipecotic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H26N4O5S MolecularWeight: 494.56274

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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)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O5S/c1-18-23(15-26)24(29(27-18)20-8-4-3-5-9-20)17-34-25(30)19-7-6-14-28(16-19)35(31,32)22-12-10-21(33-2)11-13-22/h3-5,8-13,19H,6-7,14,16-17H2,1-2H3