N-[(2-imidazol-1-ylphenyl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2-imidazol-1-ylphenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: N-[(2-imidazol-1-ylphenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: N-[[2-(1-imidazolyl)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2-imidazol-1-ylphenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-imidazol-1-ylbenzyl)-3-nitro-benzenesulfonamide Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C16H14N4O4S/c21-20(22)14-5-3-6-15(10-14)25(23,24)18-11-13-4-1-2-7-16(13)19-9-8-17-12-19/h1-10,12,18H,11H2