(3R)-N-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-[(4-bromo-2-methyl-3-pyrazolyl)methyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[(4-bromo-2-methylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C17H20BrFN4O3S MolecularWeight: 459.333103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=C(C=N1)Br)CNC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20BrFN4O3S/c1-22-16(15(18)9-21-22)10-20-17(24)12-3-2-8-23(11-12)27(25,26)14-6-4-13(19)5-7-14/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,20,24)/t12-/m1/s1