N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C18H21F3N4O3S MolecularWeight: 430.44455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C=CC(=N3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O3S/c1-13-5-6-14(29(27,28)25-8-3-2-4-9-25)11-15(13)22-17(26)12-24-10-7-16(23-24)18(19,20)21/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,22,26)