4-ethylsulfonyl-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-ethylsulfonyl-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-ethylsulfonyl-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 4-esyl-N-(4-fluorobenzyl)-1-(4-fluorophenyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C21H23F2N3O4S MolecularWeight: 451.486826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23F2N3O4S/c1-3-31(29,30)25-13-19(27)26(18-10-8-17(23)9-11-18)21(2,14-25)20(28)24-12-15-4-6-16(22)7-5-15/h4-11H,3,12-14H2,1-2H3,(H,24,28)