methyl (2R,4R)-4-chloranyl-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxylate

Systemtic Name: methyl (2R,4R)-4-chloranyl-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxylate Openeye Name: methyl (2R,4R)-4-chloro-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2R,4R)-4-chloro-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-4-chloro-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R,4R)-4-chloro-1-tosyl-pipecolinic acid methyl ester Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C[C@@H]2C(=O)OC)Cl

InChI

InChI=1S/C14H18ClNO4S/c1-10-3-5-12(6-4-10)21(18,19)16-8-7-11(15)9-13(16)14(17)20-2/h3-6,11,13H,7-9H2,1-2H3/t11-,13-/m1/s1