N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-4-methyl-3-nitro-benzamide Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-5-15(6-2)29(26,27)16-9-10-19(28-4)17(12-16)21-20(23)14-8-7-13(3)18(11-14)22(24)25/h7-12,15H,5-6H2,1-4H3,(H,21,23)