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

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-nipecotamide Formula: C18H22BrFN4O3S MolecularWeight: 473.359683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H22BrFN4O3S/c1-3-23-11-17(12(2)22-23)28(26,27)24-8-4-5-13(10-24)18(25)21-16-7-6-14(19)9-15(16)20/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,21,25)/t13-/m0/s1