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

Systemtic Name: 4-imidazol-1-yl-N-[[3-(methylsulfonylamino)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-[[3-(methanesulfonamido)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[[3-(methanesulfonamido)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-[[3-(methanesulfonamido)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-[3-(methanesulfonamido)benzyl]-3-nitro-benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c1-29(27,28)21-15-4-2-3-13(9-15)11-20-18(24)14-5-6-16(17(10-14)23(25)26)22-8-7-19-12-22/h2-10,12,21H,11H2,1H3,(H,20,24)