1-[(2S,3S,5S)-5-ethoxy-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)pyrrolidin-2-yl]ethanone

Systemtic Name: 1-[(2S,3S,5S)-5-ethoxy-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)pyrrolidin-2-yl]ethanone Openeye Name: 1-[(2S,3S,5S)-3-(benzyloxymethyl)-5-ethoxy-1-(p-tolylsulfonyl)pyrrolidin-2-yl]ethanone CAS Name: 1-[(2S,3S,5S)-5-ethoxy-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)-2-pyrrolidinyl]ethanone IUPAC Name: 1-[(2S,3S,5S)-5-ethoxy-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)pyrrolidin-2-yl]ethanone Traditional Name: 1-[(2S,3S,5S)-3-(benzoxymethyl)-5-ethoxy-1-tosyl-pyrrolidin-2-yl]ethanone Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C)COCC3=CC=CC=C3

Isomeric SMILES

CCO[C@H]1C[C@@H]([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C)COCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO5S/c1-4-29-22-14-20(16-28-15-19-8-6-5-7-9-19)23(18(3)25)24(22)30(26,27)21-12-10-17(2)11-13-21/h5-13,20,22-23H,4,14-16H2,1-3H3/t20-,22+,23-/m1/s1