4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-heptan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-heptan-2-yl-piperazine-1-carboxamide Openeye Name: 4-(2,5-difluorophenyl)sulfonyl-N-(1-methylhexyl)piperazine-1-carboxamide CAS Name: 4-(2,5-difluorophenyl)sulfonyl-N-heptan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-(2,5-difluorophenyl)sulfonyl-N-heptan-2-ylpiperazine-1-carboxamide Traditional Name: 4-(2,5-difluorophenyl)sulfonyl-N-(1-methylhexyl)piperazine-1-carboxamide Formula: C18H27F2N3O3S MolecularWeight: 403.487086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

Isomeric SMILES

CCCCCC(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

InChI

InChI=1S/C18H27F2N3O3S/c1-3-4-5-6-14(2)21-18(24)22-9-11-23(12-10-22)27(25,26)17-13-15(19)7-8-16(17)20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,24)