[1-(4-cyanophenoxy)-3-[3-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid

Systemtic Name: [1-(4-cyanophenoxy)-3-[3-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid Openeye Name: [1-[(4-cyanophenoxy)methyl]-2-[3-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]carbamic acid CAS Name: [1-(4-cyanophenoxy)-3-[3-[oxo-[4-(trifluoromethylthio)anilino]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid IUPAC Name: [1-(4-cyanophenoxy)-3-[3-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid Traditional Name: [1-[(4-cyanophenoxy)methyl]-2-[3-[[4-(trifluoromethylthio)phenyl]carbamoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]carbamic acid Formula: C25H26F3N5O4S MolecularWeight: 549.56525

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC1N2CC(COC3=CC=C(C=C3)C#N)NC(=O)O)C(=O)NC4=CC=C(C=C4)SC(F)(F)F

Isomeric SMILES

C1CC2CN(CC1N2CC(COC3=CC=C(C=C3)C#N)NC(=O)O)C(=O)NC4=CC=C(C=C4)SC(F)(F)F

InChI

InChI=1S/C25H26F3N5O4S/c26-25(27,28)38-22-9-3-17(4-10-22)30-23(34)32-13-19-5-6-20(14-32)33(19)12-18(31-24(35)36)15-37-21-7-1-16(11-29)2-8-21/h1-4,7-10,18-20,31H,5-6,12-15H2,(H,30,34)(H,35,36)