tert-butyl 4-[4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-(2-oxolanylmethylsulfamoyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30ClN3O6S MolecularWeight: 487.9974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C21H30ClN3O6S/c1-21(2,3)31-20(27)25-10-8-24(9-11-25)19(26)15-6-7-17(22)18(13-15)32(28,29)23-14-16-5-4-12-30-16/h6-7,13,16,23H,4-5,8-12,14H2,1-3H3