4-phenylbutyl (2S)-1-phenoxysulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-phenoxysulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-phenoxysulfonylpiperidine-2-carboxylate CAS Name: (2S)-1-phenoxysulfonyl-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-phenoxysulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-phenoxysulfonylpipecolinic acid 4-phenylbutyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H27NO5S/c24-22(27-18-10-8-13-19-11-3-1-4-12-19)21-16-7-9-17-23(21)29(25,26)28-20-14-5-2-6-15-20/h1-6,11-12,14-15,21H,7-10,13,16-18H2/t21-/m0/s1