N-[(2-methylphenyl)methyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[(2-methylphenyl)methyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-(o-tolylmethyl)benzamide CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]benzamide IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]benzamide Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-(2-methylbenzyl)benzamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-14-4-2-3-5-16(14)13-22-21(26)15-6-8-17(9-7-15)23-31(29,30)18-10-11-20(25)19(12-18)24(27)28/h2-12,23,25H,13H2,1H3,(H,22,26)