tert-butyl 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)sulfonylprolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28FN3O5S MolecularWeight: 441.516823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN3O5S/c1-20(2,3)29-19(26)23-13-11-22(12-14-23)18(25)17-5-4-10-24(17)30(27,28)16-8-6-15(21)7-9-16/h6-9,17H,4-5,10-14H2,1-3H3