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

Systemtic Name: (2S,5R)-5-butyl-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: (2S,5R)-5-butyl-2-(p-tolyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: (2S,5R)-5-butyl-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: (2S,5R)-5-butyl-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: (2S,5R)-5-butyl-2-(p-tolyl)-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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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)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)C(=O)O

InChI

InChI=1S/C23H27NO4S/c1-4-5-6-19-15-21(23(25)26)22(18-11-7-16(2)8-12-18)24(19)29(27,28)20-13-9-17(3)10-14-20/h7-15,19,22H,4-6H2,1-3H3,(H,25,26)/t19-,22+/m1/s1