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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(4-fluoranyl-2-methyl-phenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methyl-phenyl)-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(4-fluoro-2-methyl-phenyl)-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=C(C=CC(=C1)F)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H23ClFN3O4S/c1-14-10-17(23)8-9-18(14)26-19(27)12-25(31(3,29)30)13-21(26,2)20(28)24-11-15-4-6-16(22)7-5-15/h4-10H,11-13H2,1-3H3,(H,24,28)