3-[2,6-bis(fluoranyl)-4-(2-methylsulfonylphenyl)phenyl]-1-[(3-carbamimidoylphenyl)amino]-1-[[3-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 3-[2,6-bis(fluoranyl)-4-(2-methylsulfonylphenyl)phenyl]-1-[(3-carbamimidoylphenyl)amino]-1-[[3-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(3-carbamimidoylanilino)-3-[2,6-difluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(3-carbamimidoylanilino)-3-[2,6-difluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(3-carbamimidoylanilino)-3-[2,6-difluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(3-amidinoanilino)-3-[2,6-difluoro-4-(2-mesylphenyl)phenyl]-1-[3-(trifluoromethyl)benzyl]urea Formula: C29H24F5N5O3S MolecularWeight: 617.589576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C(=C2)F)NC(=O)N(CC3=CC(=CC=C3)C(F)(F)F)NC4=CC=CC(=C4)C(=N)N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C(=C2)F)NC(=O)N(CC3=CC(=CC=C3)C(F)(F)F)NC4=CC=CC(=C4)C(=N)N)F

InChI

InChI=1S/C29H24F5N5O3S/c1-43(41,42)25-11-3-2-10-22(25)19-14-23(30)26(24(31)15-19)37-28(40)39(38-21-9-5-7-18(13-21)27(35)36)16-17-6-4-8-20(12-17)29(32,33)34/h2-15,38H,16H2,1H3,(H3,35,36)(H,37,40)