N-[(3,4-dimethoxyphenyl)methyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-veratryl-benzamide Formula: C22H21N3O8S MolecularWeight: 487.48244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O8S/c1-32-20-10-3-14(11-21(20)33-2)13-23-22(27)15-4-6-16(7-5-15)24-34(30,31)17-8-9-19(26)18(12-17)25(28)29/h3-12,24,26H,13H2,1-2H3,(H,23,27)