3-phenylpropyl 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 3-phenylpropyl 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate Openeye Name: 3-phenylpropyl 1-benzylsulfonylpiperidine-2-carboxylate CAS Name: 1-(phenylmethyl)sulfonyl-2-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 1-benzylsulfonylpiperidine-2-carboxylate Traditional Name: 1-benzylsulfonylpipecolinic acid 3-phenylpropyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCCCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c24-22(27-17-9-14-19-10-3-1-4-11-19)21-15-7-8-16-23(21)28(25,26)18-20-12-5-2-6-13-20/h1-6,10-13,21H,7-9,14-18H2