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

Systemtic Name: (2R,5S)-2-(4-bromophenyl)-5-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2R,5S)-2-(4-bromophenyl)-5-ethyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2R,5S)-2-(4-bromophenyl)-5-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2R,5S)-2-(4-bromophenyl)-5-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2R,5S)-2-(4-bromophenyl)-5-ethyl-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C20H20BrNO4S MolecularWeight: 450.3461

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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)Br)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)Br)C(=O)O

InChI

InChI=1S/C20H20BrNO4S/c1-3-16-12-18(20(23)24)19(14-6-8-15(21)9-7-14)22(16)27(25,26)17-10-4-13(2)5-11-17/h4-12,16,19H,3H2,1-2H3,(H,23,24)/t16-,19+/m0/s1