N-[(4-imidazol-1-ylphenyl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-3-nitro-benzenesulfonamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

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