N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H21N5O7S2 MolecularWeight: 507.54004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O7S2/c1-13(26)23-34(30,31)16-5-3-15(4-6-16)21-20(33)22-19(27)14-2-7-17(18(12-14)25(28)29)24-8-10-32-11-9-24/h2-7,12H,8-11H2,1H3,(H,23,26)(H2,21,22,27,33)