2-methoxy-N-methyl-4-nitro-N-pentan-2-yl-benzenesulfonamide

Systemtic Name: 2-methoxy-N-methyl-4-nitro-N-pentan-2-yl-benzenesulfonamide Openeye Name: 2-methoxy-N-methyl-N-(1-methylbutyl)-4-nitro-benzenesulfonamide CAS Name: 2-methoxy-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide IUPAC Name: 2-methoxy-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide Traditional Name: 2-methoxy-N-methyl-N-(1-methylbutyl)-4-nitro-benzenesulfonamide Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCC(C)N(C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H20N2O5S/c1-5-6-10(2)14(3)21(18,19)13-8-7-11(15(16)17)9-12(13)20-4/h7-10H,5-6H2,1-4H3