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

Systemtic Name: ethyl (2S,5R)-2-(4-bromophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: ethyl (2S,5R)-2-(4-bromophenyl)-5-methyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S,5R)-2-(4-bromophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R)-2-(4-bromophenyl)-5-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S,5R)-2-(4-bromophenyl)-5-methyl-1-tosyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(C1C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C[C@H](N([C@H]1C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H22BrNO4S/c1-4-27-21(24)19-13-15(3)23(20(19)16-7-9-17(22)10-8-16)28(25,26)18-11-5-14(2)6-12-18/h5-13,15,20H,4H2,1-3H3/t15-,20+/m1/s1