(1-phenylpyrazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O4S/c1-18-13-19(2)24(20(3)14-18)33(30,31)27-11-9-22(10-12-27)25(29)32-17-21-15-26-28(16-21)23-7-5-4-6-8-23/h4-8,13-16,22H,9-12,17H2,1-3H3