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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4S/c1-5-26-20(23)18-10-7-13-22(16-18)14-8-12-21(3,4)27(24,25)19-11-6-9-17(2)15-19/h6,9,11,15,18H,5,7-8,10,12-14,16H2,1-4H3