tert-butyl 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H28FN3O5S MolecularWeight: 441.516823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H28FN3O5S/c1-20(2,3)29-19(26)24-10-6-8-16(24)18(25)22-11-13-23(14-12-22)30(27,28)17-9-5-4-7-15(17)21/h4-5,7,9,16H,6,8,10-14H2,1-3H3