N,N-diethyl-3-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]benzamide Openeye Name: N,N-diethyl-3-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzamide CAS Name: N,N-diethyl-3-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]benzamide Traditional Name: N,N-diethyl-3-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzamide Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O6S/c1-3-24(4-2)20(27)14-6-5-7-15(12-14)23-19(26)10-11-22-17-9-8-16(32(21,30)31)13-18(17)25(28)29/h5-9,12-13,22H,3-4,10-11H2,1-2H3,(H,23,26)(H2,21,30,31)