N-[(2-imidazol-1-ylphenyl)methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2-imidazol-1-ylphenyl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2-imidazol-1-ylphenyl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[2-(1-imidazolyl)phenyl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2-imidazol-1-ylphenyl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-(2-imidazol-1-ylbenzyl)-4-nitro-benzenesulfonamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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