(4-chloranyl-3-ethyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-3-ethyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-chloro-3-ethyl-phenyl) ester Formula: C15H20ClNO4S MolecularWeight: 345.8416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO4S/c1-3-11-10-13(4-5-14(11)16)21-15(18)12-6-8-17(9-7-12)22(2,19)20/h4-5,10,12H,3,6-9H2,1-2H3