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

Systemtic Name: (2S,5R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-5-pentyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2S,5R)-2-(4-bromophenyl)-5-pentyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2S,5R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-5-pentyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2S,5R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-5-pentyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2S,5R)-5-amyl-2-(4-bromophenyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C23H26BrNO4S MolecularWeight: 492.42584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCCCC[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/C23H26BrNO4S/c1-3-4-5-6-19-15-21(23(26)27)22(17-9-11-18(24)12-10-17)25(19)30(28,29)20-13-7-16(2)8-14-20/h7-15,19,22H,3-6H2,1-2H3,(H,26,27)/t19-,22+/m1/s1