(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H26ClN3O4S/c1-17-8-10-21(11-9-17)33(30,31)27-14-12-19(13-15-27)24(29)32-16-22-18(2)26-28(23(22)25)20-6-4-3-5-7-20/h3-11,19H,12-16H2,1-2H3