(2,5-dimethylphenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (2,5-dimethylbenzyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO4S/c1-14-5-6-15(2)16(12-14)13-26-20(23)19-4-3-11-22(19)27(24,25)18-9-7-17(21)8-10-18/h5-10,12,19H,3-4,11,13H2,1-2H3/t19-/m0/s1