(4-nitrophenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesitylsulfonylpyrrolidine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O6S/c1-14-11-15(2)20(16(3)12-14)30(27,28)22-10-4-5-19(22)21(24)29-13-17-6-8-18(9-7-17)23(25)26/h6-9,11-12,19H,4-5,10,13H2,1-3H3