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

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(4-fluoro-2-methyl-phenyl)-2-methyl-4-methylsulfonyl-6-oxo-N-(p-tolylmethyl)piperazine-2-carboxamide CAS Name: 1-(4-fluoro-2-methylphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(4-fluoro-2-methylphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(4-fluoro-2-methyl-phenyl)-6-keto-4-mesyl-2-methyl-N-(4-methylbenzyl)piperazine-2-carboxamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2C3=C(C=C(C=C3)F)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2C3=C(C=C(C=C3)F)C)S(=O)(=O)C)C

InChI

InChI=1S/C22H26FN3O4S/c1-15-5-7-17(8-6-15)12-24-21(28)22(3)14-25(31(4,29)30)13-20(27)26(22)19-10-9-18(23)11-16(19)2/h5-11H,12-14H2,1-4H3,(H,24,28)