1-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 1-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(3,5-dimethoxyphenyl)-N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C22H26FN3O6S MolecularWeight: 479.521743

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C2=CC(=CC(=C2)OC)OC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1(CN(CC(=O)N1C2=CC(=CC(=C2)OC)OC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O6S/c1-22(21(28)24-12-15-5-7-16(23)8-6-15)14-25(33(4,29)30)13-20(27)26(22)17-9-18(31-2)11-19(10-17)32-3/h5-11H,12-14H2,1-4H3,(H,24,28)