methyl 1-[2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(p-tolylsulfanyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(p-tolylthio)propanoyl]isonipecotic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23NO3S/c1-12-4-6-15(7-5-12)22-13(2)16(19)18-10-8-14(9-11-18)17(20)21-3/h4-7,13-14H,8-11H2,1-3H3