tert-butyl 4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-ethyl-3-morpholinosulfonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-ethyl-3-morpholinosulfonyl-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O6S MolecularWeight: 467.57892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H33N3O6S/c1-5-17-6-7-18(16-19(17)32(28,29)25-12-14-30-15-13-25)20(26)23-8-10-24(11-9-23)21(27)31-22(2,3)4/h6-7,16H,5,8-15H2,1-4H3