3-(4-nitrophenyl)sulfonyl-7-(phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane

Systemtic Name: 3-(4-nitrophenyl)sulfonyl-7-(phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane Openeye Name: 7-benzyl-3-(4-nitrophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane CAS Name: 3-(4-nitrophenyl)sulfonyl-7-(phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane IUPAC Name: 7-benzyl-3-(4-nitrophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane Traditional Name: 7-benzyl-3-nosyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC(O2)CN1CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CN(CC(O2)CN1CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-22(24)16-6-8-19(9-7-16)28(25,26)21-13-17-11-20(12-18(14-21)27-17)10-15-4-2-1-3-5-15/h1-9,17-18H,10-14H2