[3-(methoxymethyl)-5-(4-methylphenyl)sulfonyl-phenyl]methyl pyrrolidine-1-carboxylate

Systemtic Name: [3-(methoxymethyl)-5-(4-methylphenyl)sulfonyl-phenyl]methyl pyrrolidine-1-carboxylate Openeye Name: [3-(methoxymethyl)-5-(p-tolylsulfonyl)phenyl]methyl pyrrolidine-1-carboxylate CAS Name: 1-pyrrolidinecarboxylic acid [3-(methoxymethyl)-5-(4-methylphenyl)sulfonylphenyl]methyl ester IUPAC Name: [3-(methoxymethyl)-5-(4-methylphenyl)sulfonylphenyl]methyl pyrrolidine-1-carboxylate Traditional Name: pyrrolidine-1-carboxylic acid [3-(methoxymethyl)-5-tosyl-benzyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC(=C2)COC)COC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC(=C2)COC)COC(=O)N3CCCC3

InChI

InChI=1S/C21H25NO5S/c1-16-5-7-19(8-6-16)28(24,25)20-12-17(14-26-2)11-18(13-20)15-27-21(23)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3