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

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-2-methyl-3-nitro-benzamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-methyl-3-nitrobenzamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-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=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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