2-[4-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]sulfonylpiperazin-1-yl]-4-methyl-quinoline

Systemtic Name: 2-[4-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]sulfonylpiperazin-1-yl]-4-methyl-quinoline Openeye Name: 2-[4-[1-(difluoromethyl)-5-methyl-pyrazol-4-yl]sulfonylpiperazin-1-yl]-4-methyl-quinoline CAS Name: 2-[4-[[1-(difluoromethyl)-5-methyl-4-pyrazolyl]sulfonyl]-1-piperazinyl]-4-methylquinoline IUPAC Name: 2-[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-4-methylquinoline Traditional Name: 2-[4-[1-(difluoromethyl)-5-methyl-pyrazol-4-yl]sulfonylpiperazino]-4-methyl-quinoline Formula: C19H21F2N5O2S MolecularWeight: 421.464146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)S(=O)(=O)C4=C(N(N=C4)C(F)F)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)S(=O)(=O)C4=C(N(N=C4)C(F)F)C

InChI

InChI=1S/C19H21F2N5O2S/c1-13-11-18(23-16-6-4-3-5-15(13)16)24-7-9-25(10-8-24)29(27,28)17-12-22-26(14(17)2)19(20)21/h3-6,11-12,19H,7-10H2,1-2H3