1-[3-[[(3R)-4-cyclopropylsulfonyl-3-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[3-[[(3R)-4-cyclopropylsulfonyl-3-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[[(3R)-4-cyclopropylsulfonyl-3-methyl-piperazin-1-yl]methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[[(3R)-4-cyclopropylsulfonyl-3-methyl-1-piperazinyl]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[[(3R)-4-cyclopropylsulfonyl-3-methylpiperazin-1-yl]methyl]-2-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[[(3R)-4-cyclopropylsulfonyl-3-methyl-piperazino]methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C22H28FN5O3S MolecularWeight: 461.552823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2CC2)CC3=C(C(=CC=C3)NC(=O)NC4=CN=C(C=C4)C)F

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2CC2)CC3=C(C(=CC=C3)NC(=O)NC4=CN=C(C=C4)C)F

InChI

InChI=1S/C22H28FN5O3S/c1-15-6-7-18(12-24-15)25-22(29)26-20-5-3-4-17(21(20)23)14-27-10-11-28(16(2)13-27)32(30,31)19-8-9-19/h3-7,12,16,19H,8-11,13-14H2,1-2H3,(H2,25,26,29)/t16-/m1/s1