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

Systemtic Name: ethyl 1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(benzenesulfonyl)-4-methyl-pentyl]piperidine-4-carboxylate CAS Name: 1-[1-(benzenesulfonyl)-4-methylpentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(benzenesulfonyl)-4-methylpentyl]piperidine-4-carboxylate Traditional Name: 1-(1-besyl-4-methyl-pentyl)isonipecotic acid ethyl ester Formula: C20H31NO4S MolecularWeight: 381.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(CCC(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(CCC(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H31NO4S/c1-4-25-20(22)17-12-14-21(15-13-17)19(11-10-16(2)3)26(23,24)18-8-6-5-7-9-18/h5-9,16-17,19H,4,10-15H2,1-3H3