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

Systemtic Name: 6-[[2-fluoranyl-3-[[(2S)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl]phenyl]amino]-2-methyl-2H-pyridine-1-carboxamide Openeye Name: 6-[2-fluoro-3-[[(2S)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl]anilino]-2-methyl-2H-pyridine-1-carboxamide CAS Name: 6-[2-fluoro-3-[[(2S)-2-methyl-4-methylsulfonyl-1-piperazinyl]methyl]anilino]-2-methyl-2H-pyridine-1-carboxamide IUPAC Name: 6-[2-fluoro-3-[[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]anilino]-2-methyl-2H-pyridine-1-carboxamide Traditional Name: 6-[2-fluoro-3-[[(2S)-4-mesyl-2-methyl-piperazino]methyl]anilino]-2-methyl-2H-pyridine-1-carboxamide Formula: C20H28FN5O3S MolecularWeight: 437.531423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=C(C(=CC=C2)NC3=CC=CC(N3C(=O)N)C)F)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CN(CCN1CC2=C(C(=CC=C2)NC3=CC=CC(N3C(=O)N)C)F)S(=O)(=O)C

InChI

InChI=1S/C20H28FN5O3S/c1-14-6-4-9-18(26(14)20(22)27)23-17-8-5-7-16(19(17)21)13-24-10-11-25(12-15(24)2)30(3,28)29/h4-9,14-15,23H,10-13H2,1-3H3,(H2,22,27)/t14?,15-/m0/s1