1-[2-fluoranyl-3-[[(2S)-2-methyl-4-propan-2-ylsulfonyl-piperazin-1-yl]methyl]phenyl]-1-(2-methylpyridin-4-yl)urea

Systemtic Name: 1-[2-fluoranyl-3-[[(2S)-2-methyl-4-propan-2-ylsulfonyl-piperazin-1-yl]methyl]phenyl]-1-(2-methylpyridin-4-yl)urea Openeye Name: 1-[2-fluoro-3-[[(2S)-4-isopropylsulfonyl-2-methyl-piperazin-1-yl]methyl]phenyl]-1-(2-methyl-4-pyridyl)urea CAS Name: 1-[2-fluoro-3-[[(2S)-2-methyl-4-propan-2-ylsulfonyl-1-piperazinyl]methyl]phenyl]-1-(2-methyl-4-pyridinyl)urea IUPAC Name: 1-[2-fluoro-3-[[(2S)-2-methyl-4-propan-2-ylsulfonylpiperazin-1-yl]methyl]phenyl]-1-(2-methylpyridin-4-yl)urea Traditional Name: 1-[2-fluoro-3-[[(2S)-4-isopropylsulfonyl-2-methyl-piperazino]methyl]phenyl]-1-(2-methyl-4-pyridyl)urea Formula: C22H30FN5O3S MolecularWeight: 463.568703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=C(C(=CC=C2)N(C3=CC(=NC=C3)C)C(=O)N)F)S(=O)(=O)C(C)C

Isomeric SMILES

C[C@H]1CN(CCN1CC2=C(C(=CC=C2)N(C3=CC(=NC=C3)C)C(=O)N)F)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H30FN5O3S/c1-15(2)32(30,31)27-11-10-26(17(4)13-27)14-18-6-5-7-20(21(18)23)28(22(24)29)19-8-9-25-16(3)12-19/h5-9,12,15,17H,10-11,13-14H2,1-4H3,(H2,24,29)/t17-/m0/s1