1-[3-[[(3S)-4-ethylsulfonyl-3-(methoxymethyl)piperazin-1-yl]methyl]-5-fluoranyl-phenyl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[3-[[(3S)-4-ethylsulfonyl-3-(methoxymethyl)piperazin-1-yl]methyl]-5-fluoranyl-phenyl]-3-pyridin-3-yl-urea Openeye Name: 1-[3-[[(3S)-4-ethylsulfonyl-3-(methoxymethyl)piperazin-1-yl]methyl]-5-fluoro-phenyl]-3-(3-pyridyl)urea CAS Name: 1-[3-[[(3S)-4-ethylsulfonyl-3-(methoxymethyl)-1-piperazinyl]methyl]-5-fluorophenyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[3-[[(3S)-4-ethylsulfonyl-3-(methoxymethyl)piperazin-1-yl]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea Traditional Name: 1-[3-[[(3S)-4-esyl-3-(methoxymethyl)piperazino]methyl]-5-fluoro-phenyl]-3-(3-pyridyl)urea Formula: C21H28FN5O4S MolecularWeight: 465.541523

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1COC)CC2=CC(=CC(=C2)F)NC(=O)NC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN5O4S/c1-3-32(29,30)27-8-7-26(14-20(27)15-31-2)13-16-9-17(22)11-19(10-16)25-21(28)24-18-5-4-6-23-12-18/h4-6,9-12,20H,3,7-8,13-15H2,1-2H3,(H2,24,25,28)/t20-/m0/s1