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

Systemtic Name: N-cycloheptyl-4-ethylsulfonyl-1-(4-fluoranyl-2-methyl-phenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cycloheptyl-4-ethylsulfonyl-1-(4-fluoro-2-methyl-phenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cycloheptyl-4-ethylsulfonyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cycloheptyl-4-ethylsulfonyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cycloheptyl-4-esyl-1-(4-fluoro-2-methyl-phenyl)-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)NC2CCCCCC2)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCC2)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C22H32FN3O4S/c1-4-31(29,30)25-14-20(27)26(19-12-11-17(23)13-16(19)2)22(3,15-25)21(28)24-18-9-7-5-6-8-10-18/h11-13,18H,4-10,14-15H2,1-3H3,(H,24,28)