1-[3-(cyclohexylmethylsulfonyl)-3-azabicyclo[2.2.1]heptan-2-yl]-5-quinolin-4-yl-pentan-1-one

Systemtic Name: 1-[3-(cyclohexylmethylsulfonyl)-3-azabicyclo[2.2.1]heptan-2-yl]-5-quinolin-4-yl-pentan-1-one Openeye Name: 1-[3-(cyclohexylmethylsulfonyl)-3-azabicyclo[2.2.1]heptan-2-yl]-5-(4-quinolyl)pentan-1-one CAS Name: 1-[3-(cyclohexylmethylsulfonyl)-3-azabicyclo[2.2.1]heptan-2-yl]-5-(4-quinolinyl)-1-pentanone IUPAC Name: 1-[3-(cyclohexylmethylsulfonyl)-3-azabicyclo[2.2.1]heptan-2-yl]-5-quinolin-4-ylpentan-1-one Traditional Name: 1-[3-(cyclohexylmethylsulfonyl)-3-azabicyclo[2.2.1]heptan-2-yl]-5-(4-quinolyl)pentan-1-one Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CS(=O)(=O)N2C3CCC(C3)C2C(=O)CCCCC4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CCC(CC1)CS(=O)(=O)N2C3CCC(C3)C2C(=O)CCCCC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C27H36N2O3S/c30-26(13-7-4-10-21-16-17-28-25-12-6-5-11-24(21)25)27-22-14-15-23(18-22)29(27)33(31,32)19-20-8-2-1-3-9-20/h5-6,11-12,16-17,20,22-23,27H,1-4,7-10,13-15,18-19H2