tert-butyl 1-[2-(quinolin-8-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(quinolin-8-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(8-quinolylsulfonylamino)acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[1-oxo-2-(8-quinolinylsulfonylamino)ethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(quinolin-8-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(8-quinolylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=O)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H25N3O5S/c1-20(2,3)28-19(25)15-9-6-12-23(15)17(24)13-22-29(26,27)16-10-4-7-14-8-5-11-21-18(14)16/h4-5,7-8,10-11,15,22H,6,9,12-13H2,1-3H3