tert-butyl 4-[3-(diethylsulfamoyl)-4-methyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(diethylsulfamoyl)-4-methyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(diethylsulfamoyl)-4-methyl-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(diethylsulfamoyl)-4-methylphenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(diethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(diethylsulfamoyl)-4-methyl-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H33N3O5S/c1-7-24(8-2)30(27,28)18-15-17(10-9-16(18)3)19(25)22-11-13-23(14-12-22)20(26)29-21(4,5)6/h9-10,15H,7-8,11-14H2,1-6H3