(2-ethoxyphenyl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (2-ethoxyphenyl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (2-ethoxyphenyl)methyl 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (2-ethoxyphenyl)methyl ester IUPAC Name: (2-ethoxyphenyl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid (2-ethoxybenzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO5S/c1-3-26-20-9-5-4-7-17(20)15-27-21(23)19-8-6-14-22(19)28(24,25)18-12-10-16(2)11-13-18/h4-5,7,9-13,19H,3,6,8,14-15H2,1-2H3