methyl 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(p-tolylsulfonyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-(3-tosylpropanoyl)isonipecotic acid methyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23NO5S/c1-13-3-5-15(6-4-13)24(21,22)12-9-16(19)18-10-7-14(8-11-18)17(20)23-2/h3-6,14H,7-12H2,1-2H3