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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H27NO4S/c1-4-9-19-16-21(23(25)28-5-2)22(18-10-7-6-8-11-18)24(19)29(26,27)20-14-12-17(3)13-15-20/h6-8,10-16,19,22H,4-5,9H2,1-3H3/t19-,22+/m1/s1