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

Systemtic Name: 1-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-1-p-phenetyl-piperazine-2-carboxamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C22H26FN3O5S/c1-4-31-19-11-9-18(10-12-19)26-20(27)14-25(32(3,29)30)15-22(26,2)21(28)24-13-16-5-7-17(23)8-6-16/h5-12H,4,13-15H2,1-3H3,(H,24,28)