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

Systemtic Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-6-oxo-piperazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-[[4-(methylthio)phenyl]methyl]-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-6-oxopiperazine-2-carboxamide Traditional Name: 4-esyl-N-(4-fluorobenzyl)-6-keto-2-methyl-1-[4-(methylthio)benzyl]piperazine-2-carboxamide Formula: C23H28FN3O4S2 MolecularWeight: 493.614523

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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)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=C(C=C2)F)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H28FN3O4S2/c1-4-33(30,31)26-15-21(28)27(14-18-7-11-20(32-3)12-8-18)23(2,16-26)22(29)25-13-17-5-9-19(24)10-6-17/h5-12H,4,13-16H2,1-3H3,(H,25,29)