ethyl 1-methylsulfonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-methylsulfonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-methylsulfonyl-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methylsulfonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-mesyl-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO4S/c1-3-23-17(20)18(11-7-10-16-8-5-4-6-9-16)12-14-19(15-13-18)24(2,21)22/h4-6,8-9H,3,7,10-15H2,1-2H3