1-[3-fluoranyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]-3-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[3-fluoranyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-fluoro-5-[(4-isopropylsulfonylpiperazin-1-yl)methyl]phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-fluoro-5-[(4-propan-2-ylsulfonyl-1-piperazinyl)methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-fluoro-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-fluoro-5-[(4-isopropylsulfonylpiperazino)methyl]phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C21H28FN5O3S MolecularWeight: 449.542123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)S(=O)(=O)C(C)C)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)S(=O)(=O)C(C)C)F

InChI

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