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

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-2-methyl-3,5-dinitro-benzamide Formula: C20H23N3O8S MolecularWeight: 465.47692

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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(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O8S/c1-5-14(6-2)32(29,30)15-7-8-19(31-4)17(11-15)21-20(24)16-9-13(22(25)26)10-18(12(16)3)23(27)28/h7-11,14H,5-6H2,1-4H3,(H,21,24)