1-[(3-cyanophenyl)-phenyl-amino]-3-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]urea

Systemtic Name: 1-[(3-cyanophenyl)-phenyl-amino]-3-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]urea Openeye Name: 1-(N-(3-cyanophenyl)anilino)-3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]urea CAS Name: 1-(N-(3-cyanophenyl)anilino)-3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]urea IUPAC Name: 1-(N-(3-cyanophenyl)anilino)-3-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]urea Traditional Name: 1-(N-(3-cyanophenyl)anilino)-3-[2-fluoro-4-(2-mesylphenyl)phenyl]urea Formula: C27H21FN4O3S MolecularWeight: 500.544043

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)C#N)F

InChI

InChI=1S/C27H21FN4O3S/c1-36(34,35)26-13-6-5-12-23(26)20-14-15-25(24(28)17-20)30-27(33)31-32(21-9-3-2-4-10-21)22-11-7-8-19(16-22)18-29/h2-17H,1H3,(H2,30,31,33)