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

Systemtic Name: 1-(4-chlorophenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(4-chlorophenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(4-chlorophenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(4-chlorophenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(4-chlorophenyl)-4-esyl-N-(4-fluorobenzyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C21H23ClFN3O4S MolecularWeight: 467.941423

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O4S/c1-3-31(29,30)25-13-19(27)26(18-10-6-16(22)7-11-18)21(2,14-25)20(28)24-12-15-4-8-17(23)9-5-15/h4-11H,3,12-14H2,1-2H3,(H,24,28)