(2S,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: (2S,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2S,5S)-5-tert-butyl-2-phenyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2S,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2S,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2S,5S)-5-tert-butyl-2-phenyl-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C=C(C2C3=CC=CC=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C=C([C@@H]2C3=CC=CC=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C22H25NO4S/c1-15-10-12-17(13-11-15)28(26,27)23-19(22(2,3)4)14-18(21(24)25)20(23)16-8-6-5-7-9-16/h5-14,19-20H,1-4H3,(H,24,25)/t19-,20-/m0/s1