ethyl 1-[4-methyl-4-(4-methylphenyl)sulfonyl-pentyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-methyl-4-(4-methylphenyl)sulfonyl-pentyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-methyl-4-(p-tolylsulfonyl)pentyl]piperidine-3-carboxylate CAS Name: 1-[4-methyl-4-(4-methylphenyl)sulfonylpentyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methyl-4-(4-methylphenyl)sulfonylpentyl]piperidine-3-carboxylate Traditional Name: 1-(4-methyl-4-tosyl-pentyl)nipecotic acid ethyl ester Formula: C21H33NO4S MolecularWeight: 395.55602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCCC(C)(C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CCCC(C)(C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H33NO4S/c1-5-26-20(23)18-8-6-14-22(16-18)15-7-13-21(3,4)27(24,25)19-11-9-17(2)10-12-19/h9-12,18H,5-8,13-16H2,1-4H3