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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(4-chlorobenzyl)-N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H23ClFN3O4S MolecularWeight: 467.941423

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CC2=CC=C(C=C2)Cl)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1(CN(CC(=O)N1CC2=CC=C(C=C2)Cl)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23ClFN3O4S/c1-21(20(28)24-11-15-5-9-18(23)10-6-15)14-25(31(2,29)30)13-19(27)26(21)12-16-3-7-17(22)8-4-16/h3-10H,11-14H2,1-2H3,(H,24,28)