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

Systemtic Name: methyl (2S)-1-ethylsulfonyl-4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-2-carboxylate Openeye Name: methyl (2S)-1-ethylsulfonyl-4-[[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazine-2-carboxylate CAS Name: (2S)-1-ethylsulfonyl-4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-ethylsulfonyl-4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-2-carboxylate Traditional Name: (2S)-1-esyl-4-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]piperazine-2-carboxylic acid methyl ester Formula: C22H28FN5O5S MolecularWeight: 493.551623

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1C(=O)OC)CC2=C(C(=CC=C2)NC(=O)NC3=CN=C(C=C3)C)F

Isomeric SMILES

CCS(=O)(=O)N1CCN(C[C@H]1C(=O)OC)CC2=C(C(=CC=C2)NC(=O)NC3=CN=C(C=C3)C)F

InChI

InChI=1S/C22H28FN5O5S/c1-4-34(31,32)28-11-10-27(14-19(28)21(29)33-3)13-16-6-5-7-18(20(16)23)26-22(30)25-17-9-8-15(2)24-12-17/h5-9,12,19H,4,10-11,13-14H2,1-3H3,(H2,25,26,30)/t19-/m0/s1