N-(4-bromanyl-2-fluoranyl-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]isonipecotamide Formula: C17H20BrFN4O3S MolecularWeight: 459.333103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H20BrFN4O3S/c1-10-16(11(2)22-21-10)27(25,26)23-7-5-12(6-8-23)17(24)20-15-4-3-13(18)9-14(15)19/h3-4,9,12H,5-8H2,1-2H3,(H,20,24)(H,21,22)