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

Systemtic Name: (2S,5R)-5-butyl-2-(4-cyanophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2S,5R)-5-butyl-2-(4-cyanophenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2S,5R)-5-butyl-2-(4-cyanophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2S,5R)-5-butyl-2-(4-cyanophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2S,5R)-5-butyl-2-(4-cyanophenyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCCC[C@@H]1C=C([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-3-4-5-19-14-21(23(26)27)22(18-10-8-17(15-24)9-11-18)25(19)30(28,29)20-12-6-16(2)7-13-20/h6-14,19,22H,3-5H2,1-2H3,(H,26,27)/t19-,22+/m1/s1