3,4,5-trimethoxy-N-[[2-(methylsulfonylamino)phenyl]methyl]-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[2-(methylsulfonylamino)phenyl]methyl]-2-nitro-benzamide Openeye Name: N-[[2-(methanesulfonamido)phenyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[[2-(methanesulfonamido)phenyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[[2-(methanesulfonamido)phenyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(methanesulfonamido)benzyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C18H21N3O8S MolecularWeight: 439.43964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=CC=C2NS(=O)(=O)C)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=CC=C2NS(=O)(=O)C)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H21N3O8S/c1-27-14-9-12(15(21(23)24)17(29-3)16(14)28-2)18(22)19-10-11-7-5-6-8-13(11)20-30(4,25)26/h5-9,20H,10H2,1-4H3,(H,19,22)