3-nitro-N-[3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-nitro-N-[3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanylphenyl]benzamide Openeye Name: 3-nitro-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide CAS Name: 3-nitro-N-[3-[[2-oxo-2-(4-sulfamoylanilino)ethyl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-2-(4-sulfamoylanilino)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H18N4O6S2 MolecularWeight: 486.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H18N4O6S2/c22-33(30,31)19-9-7-15(8-10-19)23-20(26)13-32-18-6-2-4-16(12-18)24-21(27)14-3-1-5-17(11-14)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)(H2,22,30,31)