1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate

Systemtic Name: 1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: 1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate CAS Name: 1-(2-methyl-4-methylsulfonylphenyl)-4-piperidinecarboxylate IUPAC Name: 1-(2-methyl-4-methylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(4-mesyl-2-methyl-phenyl)isonipecotate Formula: C14H18NO4S- MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C14H19NO4S/c1-10-9-12(20(2,18)19)3-4-13(10)15-7-5-11(6-8-15)14(16)17/h3-4,9,11H,5-8H2,1-2H3,(H,16,17)/p-1