4-ethylsulfonyl-1-(4-fluoranyl-2-methyl-phenyl)-2-methyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-1-(4-fluoranyl-2-methyl-phenyl)-2-methyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-4-ethylsulfonyl-1-(4-fluoro-2-methyl-phenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-ethylsulfonyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-4-ethylsulfonyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-4-esyl-1-(4-fluoro-2-methyl-phenyl)-6-keto-2-methyl-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=CC=C2)C3=C(C=C(C=C3)F)C

Isomeric SMILES

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

InChI

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