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

Systemtic Name: tert-butyl 4-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-(2-oxolanylmethylsulfamoyl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(tetrahydrofurfurylsulfamoyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S/c1-21(2,3)30-20(26)24-11-9-23(10-12-24)19(25)16-6-4-8-18(14-16)31(27,28)22-15-17-7-5-13-29-17/h4,6,8,14,17,22H,5,7,9-13,15H2,1-3H3