4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1-(p-tolyl)piperazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)-6-oxopiperazine-2-carboxamide Traditional Name: 4-esyl-N-(4-fluorobenzyl)-6-keto-2-methyl-1-(p-tolyl)piperazine-2-carboxamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)C

InChI

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