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

Systemtic Name: ethyl (2S,5R)-5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: ethyl (2S,5R)-5-ethyl-2-phenyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S,5R)-5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R)-5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S,5R)-5-ethyl-2-phenyl-1-tosyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[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/C22H25NO4S/c1-4-18-15-20(22(24)27-5-2)21(17-9-7-6-8-10-17)23(18)28(25,26)19-13-11-16(3)12-14-19/h6-15,18,21H,4-5H2,1-3H3/t18-,21+/m1/s1