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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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