3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(1S,2R,5S)-5-(4-methylsulfonylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-pyridin-2-ylethyl)urea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(1S,2R,5S)-5-(4-methylsulfonylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-pyridin-2-ylethyl)urea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(1S,2R,5S)-5-(4-methylsulfonylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-[2-(2-pyridyl)ethyl]urea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(4-methylsulfonylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-[2-(2-pyridinyl)ethyl]urea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(4-methylsulfonylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-pyridin-2-ylethyl)urea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(1S,2R,5S)-5-(4-mesylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-[2-(2-pyridyl)ethyl]urea Formula: C27H27ClFN3O3S MolecularWeight: 528.037983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C23CCC(C2C3)N(CCC4=CC=CC=N4)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@]23CC[C@H]([C@H]2C3)N(CCC4=CC=CC=N4)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C27H27ClFN3O3S/c1-36(34,35)21-8-5-18(6-9-21)27-13-11-25(22(27)17-27)32(15-12-19-4-2-3-14-30-19)26(33)31-20-7-10-24(29)23(28)16-20/h2-10,14,16,22,25H,11-13,15,17H2,1H3,(H,31,33)/t22-,25-,27-/m1/s1