(3-morpholin-4-ylsulfonylphenyl)methyl (3R)-5-oxidanylidene-1-(4-propylphenyl)pyrrolidine-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (3R)-5-oxidanylidene-1-(4-propylphenyl)pyrrolidine-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl (3R)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxylate CAS Name: (3R)-5-oxo-1-(4-propylphenyl)-3-pyrrolidinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (3R)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-(4-propylphenyl)pyrrolidine-3-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H30N2O6S/c1-2-4-19-7-9-22(10-8-19)27-17-21(16-24(27)28)25(29)33-18-20-5-3-6-23(15-20)34(30,31)26-11-13-32-14-12-26/h3,5-10,15,21H,2,4,11-14,16-18H2,1H3/t21-/m1/s1