(4-ethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-ethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-ethylphenyl) ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21NO4S/c1-3-12-4-6-14(7-5-12)20-15(17)13-8-10-16(11-9-13)21(2,18)19/h4-7,13H,3,8-11H2,1-2H3