4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC1CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CC2CC1CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-20-11-15-9-14(20)12-21(15)17-8-7-16(10-18(17)22(23)24)27(25,26)19-13-5-3-2-4-6-13/h2-8,10,14-15,19H,9,11-12H2,1H3