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

Systemtic Name: 1-(2,4-dimethylphenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(2,4-dimethylphenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)-4-esyl-N-(4-fluorobenzyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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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=C(C=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O4S/c1-5-32(30,31)26-14-21(28)27(20-11-6-16(2)12-17(20)3)23(4,15-26)22(29)25-13-18-7-9-19(24)10-8-18/h6-12H,5,13-15H2,1-4H3,(H,25,29)