N-(4-ethylphenyl)-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-(4-ethylphenyl)-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: N-(4-ethylphenyl)-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-(4-ethylphenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(4-ethylphenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-(4-ethylphenyl)-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-2-14-3-7-16(8-4-14)22-21(26)15-5-9-17(10-6-15)23-31(29,30)18-11-12-20(25)19(13-18)24(27)28/h3-13,23,25H,2H2,1H3,(H,22,26)