(3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-[(1-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(1-methylpyrazol-4-yl)sulfonyl-nipecotamide Formula: C16H18BrFN4O3S MolecularWeight: 445.306523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H18BrFN4O3S/c1-21-10-13(8-19-21)26(24,25)22-6-2-3-11(9-22)16(23)20-15-5-4-12(17)7-14(15)18/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,20,23)/t11-/m0/s1