3-(4-methoxyphenyl)propyl (2S)-1-(phenylmethyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: 3-(4-methoxyphenyl)propyl (2S)-1-(phenylmethyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: 3-(4-methoxyphenyl)propyl (2S)-1-benzylsulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(phenylmethyl)sulfonyl-2-pyrrolidinecarboxylic acid 3-(4-methoxyphenyl)propyl ester IUPAC Name: 3-(4-methoxyphenyl)propyl (2S)-1-benzylsulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid 3-(4-methoxyphenyl)propyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCOC(=O)C2CCCN2S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCOC(=O)[C@@H]2CCCN2S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO5S/c1-27-20-13-11-18(12-14-20)9-6-16-28-22(24)21-10-5-15-23(21)29(25,26)17-19-7-3-2-4-8-19/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3/t21-/m0/s1