4-imidazol-1-yl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-[4-(methylsulfamoylmethyl)benzyl]-3-nitro-benzamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-20-30(28,29)12-15-4-2-14(3-5-15)11-22-19(25)16-6-7-17(18(10-16)24(26)27)23-9-8-21-13-23/h2-10,13,20H,11-12H2,1H3,(H,22,25)