4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 4-esyl-N-(4-fluorobenzyl)-6-keto-1-(3-methoxyphenyl)-2-methyl-piperazine-2-carboxamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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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(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O5S/c1-4-32(29,30)25-14-20(27)26(18-6-5-7-19(12-18)31-3)22(2,15-25)21(28)24-13-16-8-10-17(23)11-9-16/h5-12H,4,13-15H2,1-3H3,(H,24,28)