N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-4-nitro-benzenesulfonamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1N(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c24-23(25)18-5-7-19(8-6-18)28(26,27)20-15-1-3-16(4-2-15)22-14-13-21-11-9-17(22)10-12-21/h1-8,17,20H,9-14H2