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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-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-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H23N5O4S MolecularWeight: 489.54622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5O4S/c1-18-23(16-27)24(30(28-18)21-5-3-2-4-6-21)17-34-25(31)20-11-13-29(14-12-20)35(32,33)22-9-7-19(15-26)8-10-22/h2-10,20H,11-14,17H2,1H3