ethyl 4-[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H24FN3O5S/c1-3-30-21(27)25-11-9-24(10-12-25)20(26)16-5-4-6-17(13-16)23-31(28,29)18-8-7-15(2)19(22)14-18/h4-8,13-14,23H,3,9-12H2,1-2H3