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

Systemtic Name: ethyl 4-methyl-1-[4-methyl-4-(phenylsulfonyl)pentyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-(benzenesulfonyl)-4-methyl-pentyl]-4-methyl-piperidine-3-carboxylate CAS Name: 1-[4-(benzenesulfonyl)-4-methylpentyl]-4-methyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzenesulfonyl)-4-methylpentyl]-4-methylpiperidine-3-carboxylate Traditional Name: 1-(4-besyl-4-methyl-pentyl)-4-methyl-nipecotic acid ethyl ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1C)CCCC(C)(C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CN(CCC1C)CCCC(C)(C)S(=O)(=O)C2=CC=CC=C2

InChI

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