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(2,3,6-trimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate

(2,3,6-trimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name:(2,3,6-trimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate
Openeye Name:(2,3,6-trimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate
CAS Name:1-methylsulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester
IUPAC Name:(2,3,6-trimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate
Traditional Name:1-mesylisonipecotic acid (2,3,6-trimethylphenyl) ester
Formula: C16H23NO4S
MolecularWeight: 325.42312
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H23NO4S/c1-11-5-6-12(2)15(13(11)3)21-16(18)14-7-9-17(10-8-14)22(4,19)20/h5-6,14H,7-10H2,1-4H3


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