tert-butyl (2S)-1-(4-methylphenyl)sulfonyl-2-(3-oxidanylpropyl)-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: tert-butyl (2S)-1-(4-methylphenyl)sulfonyl-2-(3-oxidanylpropyl)-2,5-dihydropyrrole-3-carboxylate Openeye Name: tert-butyl (2S)-2-(3-hydroxypropyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-2-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-2-(3-hydroxypropyl)-1-tosyl-3-pyrroline-3-carboxylic acid tert-butyl ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2CCCO)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C([C@@H]2CCCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H27NO5S/c1-14-7-9-15(10-8-14)26(23,24)20-12-11-16(17(20)6-5-13-21)18(22)25-19(2,3)4/h7-11,17,21H,5-6,12-13H2,1-4H3/t17-/m0/s1