(phenylmethyl) 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-(4-chloro-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-chloro-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid benzyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClNO4S/c1-14-12-19(15(2)11-17(14)21)27(24,25)22-10-6-9-18(22)20(23)26-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,18H,6,9-10,13H2,1-2H3