ethyl 3-[(3-chlorophenyl)methyl]-1-ethylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-ethylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-ethylsulfonyl-piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-ethylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-esyl-nipecotic acid ethyl ester Formula: C17H24ClNO4S MolecularWeight: 373.89476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)CC)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)CC)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H24ClNO4S/c1-3-23-16(20)17(12-14-7-5-8-15(18)11-14)9-6-10-19(13-17)24(21,22)4-2/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3