6-[[3-[[(2S)-4-ethylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]amino]-2-methyl-2H-pyridine-1-carboxamide

Systemtic Name: 6-[[3-[[(2S)-4-ethylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]amino]-2-methyl-2H-pyridine-1-carboxamide Openeye Name: 6-[3-[[(2S)-4-ethylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoro-anilino]-2-methyl-2H-pyridine-1-carboxamide CAS Name: 6-[3-[[(2S)-4-ethylsulfonyl-2-methyl-1-piperazinyl]methyl]-2-fluoroanilino]-2-methyl-2H-pyridine-1-carboxamide IUPAC Name: 6-[3-[[(2S)-4-ethylsulfonyl-2-methylpiperazin-1-yl]methyl]-2-fluoroanilino]-2-methyl-2H-pyridine-1-carboxamide Traditional Name: 6-[3-[[(2S)-4-esyl-2-methyl-piperazino]methyl]-2-fluoro-anilino]-2-methyl-2H-pyridine-1-carboxamide Formula: C21H30FN5O3S MolecularWeight: 451.558003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(C(C1)C)CC2=C(C(=CC=C2)NC3=CC=CC(N3C(=O)N)C)F

Isomeric SMILES

CCS(=O)(=O)N1CCN([C@H](C1)C)CC2=C(C(=CC=C2)NC3=CC=CC(N3C(=O)N)C)F

InChI

InChI=1S/C21H30FN5O3S/c1-4-31(29,30)26-12-11-25(16(3)13-26)14-17-8-6-9-18(20(17)22)24-19-10-5-7-15(2)27(19)21(23)28/h5-10,15-16,24H,4,11-14H2,1-3H3,(H2,23,28)/t15?,16-/m0/s1