N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoranyl-4-methyl-phenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoranyl-4-methyl-phenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoro-4-methyl-phenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cycloheptyl-4-esyl-1-(3-fluoro-4-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=CC(=C(C=C3)C)F

Isomeric SMILES

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

InChI

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