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

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-[(2-ethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-[(2-ethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(2-ethoxybenzyl)-N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C23H28FN3O5S MolecularWeight: 477.548923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1CN2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C23H28FN3O5S/c1-4-32-20-8-6-5-7-18(20)14-27-21(28)15-26(33(3,30)31)16-23(27,2)22(29)25-13-17-9-11-19(24)12-10-17/h5-12H,4,13-16H2,1-3H3,(H,25,29)