(4-chloranyl-2-methyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-chloro-2-methyl-phenyl) ester Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H18ClNO4S/c1-10-9-12(15)3-4-13(10)20-14(17)11-5-7-16(8-6-11)21(2,18)19/h3-4,9,11H,5-8H2,1-2H3