N-[(4-cyanophenyl)methyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanesulfonamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanesulfonamide Openeye Name: N-[(4-cyanophenyl)methyl]-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2-[3-[(3,5-dimethylisoxazol-4-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanesulfonamide CAS Name: N-[(4-cyanophenyl)methyl]-N-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-[3-[(3,5-dimethyl-4-isoxazolyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanesulfonamide IUPAC Name: N-[(4-cyanophenyl)methyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanesulfonamide Traditional Name: N-(4-cyanobenzyl)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2-[3-[(3,5-dimethylisoxazol-4-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanesulfonamide Formula: C28H36N6O5S MolecularWeight: 568.68764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CC3CN(CC(C2)O3)CCS(=O)(=O)N(CC4=CC=C(C=C4)C#N)CC5=C(ON=C5C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CC3CN(CC(C2)O3)CCS(=O)(=O)N(CC4=CC=C(C=C4)C#N)CC5=C(ON=C5C)C

InChI

InChI=1S/C28H36N6O5S/c1-19-27(21(3)38-30-19)17-33-15-25-13-32(14-26(16-33)37-25)9-10-40(35,36)34(18-28-20(2)31-39-22(28)4)12-24-7-5-23(11-29)6-8-24/h5-8,25-26H,9-10,12-18H2,1-4H3