N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclooctyl-4-esyl-1-(3-fluorophenyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C22H32FN3O4S MolecularWeight: 453.570583

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H32FN3O4S/c1-3-31(29,30)25-15-20(27)26(19-13-9-10-17(23)14-19)22(2,16-25)21(28)24-18-11-7-5-4-6-8-12-18/h9-10,13-14,18H,3-8,11-12,15-16H2,1-2H3,(H,24,28)