N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide

Systemtic Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide Openeye Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholino-3,5-dinitro-benzamide CAS Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(4-morpholinyl)-3,5-dinitrobenzamide IUPAC Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide Traditional Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholino-3,5-dinitro-benzamide Formula: C21H21N7O8S2 MolecularWeight: 563.56354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O8S2/c1-2-18-23-24-21(37-18)25-38(34,35)15-5-3-14(4-6-15)22-20(29)13-11-16(27(30)31)19(17(12-13)28(32)33)26-7-9-36-10-8-26/h3-6,11-12H,2,7-10H2,1H3,(H,22,29)(H,24,25)