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

Systemtic Name: 1-[3-[[(2S)-4-cyclopropylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]-1-(2-methylpyridin-4-yl)urea Openeye Name: 1-[3-[[(2S)-4-cyclopropylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoro-phenyl]-1-(2-methyl-4-pyridyl)urea CAS Name: 1-[3-[[(2S)-4-cyclopropylsulfonyl-2-methyl-1-piperazinyl]methyl]-2-fluorophenyl]-1-(2-methyl-4-pyridinyl)urea IUPAC Name: 1-[3-[[(2S)-4-cyclopropylsulfonyl-2-methylpiperazin-1-yl]methyl]-2-fluorophenyl]-1-(2-methylpyridin-4-yl)urea Traditional Name: 1-[3-[[(2S)-4-cyclopropylsulfonyl-2-methyl-piperazino]methyl]-2-fluoro-phenyl]-1-(2-methyl-4-pyridyl)urea Formula: C22H28FN5O3S MolecularWeight: 461.552823

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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)C4CC4

Isomeric SMILES

C[C@H]1CN(CCN1CC2=C(C(=CC=C2)N(C3=CC(=NC=C3)C)C(=O)N)F)S(=O)(=O)C4CC4

InChI

InChI=1S/C22H28FN5O3S/c1-15-12-18(8-9-25-15)28(22(24)29)20-5-3-4-17(21(20)23)14-26-10-11-27(13-16(26)2)32(30,31)19-6-7-19/h3-5,8-9,12,16,19H,6-7,10-11,13-14H2,1-2H3,(H2,24,29)/t16-/m0/s1