methyl (2S)-4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-1-methylsulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-1-methylsulfonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-[[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]-1-methylsulfonyl-piperazine-2-carboxylate CAS Name: (2S)-4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-methylsulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-1-methylsulfonylpiperazine-2-carboxylate Traditional Name: (2S)-4-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]-1-mesyl-piperazine-2-carboxylic acid methyl ester Formula: C21H26FN5O5S MolecularWeight: 479.525043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(C(C3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN([C@@H](C3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C21H26FN5O5S/c1-14-7-8-16(11-23-14)24-21(29)25-17-6-4-5-15(19(17)22)12-26-9-10-27(33(3,30)31)18(13-26)20(28)32-2/h4-8,11,18H,9-10,12-13H2,1-3H3,(H2,24,25,29)/t18-/m0/s1