7-diphenoxyphosphoryl-1,5-dimethyl-3-(phenylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

Systemtic Name: 7-diphenoxyphosphoryl-1,5-dimethyl-3-(phenylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 3-(benzenesulfonyl)-7-diphenoxyphosphoryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 3-(benzenesulfonyl)-7-diphenoxyphosphoryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 3-(benzenesulfonyl)-7-diphenoxyphosphoryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 3-besyl-7-diphenoxyphosphoryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C27H29N2O6PS MolecularWeight: 540.567721

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Descriptors Computed from Structure

Canonical SMILES:

CC12CN(CC(C1=O)(CN(C2)S(=O)(=O)C3=CC=CC=C3)C)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC12CN(CC(C1=O)(CN(C2)S(=O)(=O)C3=CC=CC=C3)C)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H29N2O6PS/c1-26-18-28(36(31,34-22-12-6-3-7-13-22)35-23-14-8-4-9-15-23)19-27(2,25(26)30)21-29(20-26)37(32,33)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3