2,4-dinitro-N-[4-[[(4-sulfamoylphenyl)amino]methylcarbamoyl]phenyl]benzamide

Systemtic Name: 2,4-dinitro-N-[4-[[(4-sulfamoylphenyl)amino]methylcarbamoyl]phenyl]benzamide Openeye Name: 2,4-dinitro-N-[4-[(4-sulfamoylanilino)methylcarbamoyl]phenyl]benzamide CAS Name: 2,4-dinitro-N-[4-[oxo-[(4-sulfamoylanilino)methylamino]methyl]phenyl]benzamide IUPAC Name: 2,4-dinitro-N-[4-[(4-sulfamoylanilino)methylcarbamoyl]phenyl]benzamide Traditional Name: 2,4-dinitro-N-[4-[(4-sulfamoylanilino)methylcarbamoyl]phenyl]benzamide Formula: C21H18N6O8S MolecularWeight: 514.46802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCNC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCNC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O8S/c22-36(34,35)17-8-5-14(6-9-17)23-12-24-20(28)13-1-3-15(4-2-13)25-21(29)18-10-7-16(26(30)31)11-19(18)27(32)33/h1-11,23H,12H2,(H,24,28)(H,25,29)(H2,22,34,35)