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

Systemtic Name: 1-[2-fluoranyl-3-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpyridin-4-yl)urea Openeye Name: 1-[2-fluoro-3-[(4-isopropylsulfonylpiperazin-1-yl)methyl]phenyl]-3-(2-methyl-4-pyridyl)urea CAS Name: 1-[2-fluoro-3-[(4-propan-2-ylsulfonyl-1-piperazinyl)methyl]phenyl]-3-(2-methyl-4-pyridinyl)urea IUPAC Name: 1-[2-fluoro-3-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpyridin-4-yl)urea Traditional Name: 1-[2-fluoro-3-[(4-isopropylsulfonylpiperazino)methyl]phenyl]-3-(2-methyl-4-pyridyl)urea Formula: C21H28FN5O3S MolecularWeight: 449.542123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=NC=CC(=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H28FN5O3S/c1-15(2)31(29,30)27-11-9-26(10-12-27)14-17-5-4-6-19(20(17)22)25-21(28)24-18-7-8-23-16(3)13-18/h4-8,13,15H,9-12,14H2,1-3H3,(H2,23,24,25,28)