tert-butyl 1-[3-ethoxy-3-oxidanylidene-2-(phenylmethyl)propyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-ethoxy-3-oxidanylidene-2-(phenylmethyl)propyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(2-benzyl-3-ethoxy-3-oxo-propyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-[3-ethoxy-3-oxo-2-(phenylmethyl)propyl]sulfonyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-benzyl-3-ethoxy-3-oxopropyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2-benzyl-3-ethoxy-3-keto-propyl)sulfonylpyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO6S/c1-5-27-19(23)17(14-16-10-7-6-8-11-16)15-29(25,26)22-13-9-12-18(22)20(24)28-21(2,3)4/h6-8,10-11,17-18H,5,9,12-15H2,1-4H3