4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C22H21N3O6S/c1-14-3-9-20(11-15(14)2)32(30,31)24-18-6-4-16(5-7-18)22(27)23-13-17-12-19(25(28)29)8-10-21(17)26/h3-12,24,26H,13H2,1-2H3,(H,23,27)