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

Systemtic Name: 3-(4-nitrophenyl)sulfonyl-7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonane Openeye Name: 7-benzyl-3-(4-nitrophenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane CAS Name: 3-(4-nitrophenyl)sulfonyl-7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonane IUPAC Name: 7-benzyl-3-(4-nitrophenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane Traditional Name: 7-benzyl-3-nosyl-3,7-diazabicyclo[3.3.1]nonane Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C2CN(CC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O4S/c24-23(25)19-6-8-20(9-7-19)28(26,27)22-14-17-10-18(15-22)13-21(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15H2