N-[4-[[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[3-(2-nitro-4-sulfamoylanilino)propanoylamino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]methyl]phenyl]-2-furamide Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c22-34(31,32)16-7-8-17(18(12-16)26(29)30)23-10-9-20(27)24-13-14-3-5-15(6-4-14)25-21(28)19-2-1-11-33-19/h1-8,11-12,23H,9-10,13H2,(H,24,27)(H,25,28)(H2,22,31,32)