(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-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-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H24ClN3O4S/c1-17-21(22(24)27(25-17)19-8-4-2-5-9-19)16-31-23(28)18-12-14-26(15-13-18)32(29,30)20-10-6-3-7-11-20/h2-11,18H,12-16H2,1H3