(2R,5S)-5-ethyl-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: (2R,5S)-5-ethyl-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-5-ethyl-2-(4-methoxyphenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-5-ethyl-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-5-ethyl-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-5-ethyl-2-(4-methoxyphenyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-4-16-13-19(21(23)24)20(15-7-9-17(27-3)10-8-15)22(16)28(25,26)18-11-5-14(2)6-12-18/h5-13,16,20H,4H2,1-3H3,(H,23,24)/t16-,20+/m0/s1