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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-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-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4S/c1-13-16(17(19)22(20-13)15-6-4-3-5-7-15)12-26-18(23)14-8-10-21(11-9-14)27(2,24)25/h3-7,14H,8-12H2,1-2H3