3-methyl-N-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]benzamide Openeye Name: 3-methyl-N-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]benzamide CAS Name: 3-methyl-N-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]benzamide IUPAC Name: 3-methyl-N-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]benzamide Traditional Name: N-[4-(4-mesyl-2-nitro-phenoxy)phenyl]-3-methyl-benzamide Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-14-4-3-5-15(12-14)21(24)22-16-6-8-17(9-7-16)29-20-11-10-18(30(2,27)28)13-19(20)23(25)26/h3-13H,1-2H3,(H,22,24)