(3-methoxycarbonylphenyl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid (3-carbomethoxybenzyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-15-8-10-18(11-9-15)29(25,26)22-12-4-7-19(22)21(24)28-14-16-5-3-6-17(13-16)20(23)27-2/h3,5-6,8-11,13,19H,4,7,12,14H2,1-2H3