3-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-1-[[3-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]amino]-1-[[3-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 3-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-1-[[3-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]amino]-1-[[3-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[3-[(Z)-N'-hydroxycarbamimidoyl]anilino]-1-[[3-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-[3-[(Z)-amino(hydroxyimino)methyl]anilino]-3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[3-[(Z)-N'-hydroxycarbamimidoyl]anilino]-1-[[3-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-[3-[(Z)-aminocarbohydroximoyl]anilino]-3-[2-fluoro-4-(2-mesylphenyl)phenyl]-1-[3-(trifluoromethyl)benzyl]urea Formula: C29H25F4N5O4S MolecularWeight: 615.598513

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)N(CC3=CC(=CC=C3)C(F)(F)F)NC4=CC=CC(=C4)C(=NO)N)F

Isomeric SMILES

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

InChI

InChI=1S/C29H25F4N5O4S/c1-43(41,42)26-11-3-2-10-23(26)19-12-13-25(24(30)16-19)35-28(39)38(17-18-6-4-8-21(14-18)29(31,32)33)36-22-9-5-7-20(15-22)27(34)37-40/h2-16,36,40H,17H2,1H3,(H2,34,37)(H,35,39)