(phenylmethyl) 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid benzyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-22(2,3)18-11-13-19(14-12-18)28(25,26)23-15-7-10-20(23)21(24)27-16-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3