N-[2-(3,5-dimethylphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C

InChI

InChI=1S/C17H19N3O7S/c1-11-6-12(2)8-14(7-11)27-5-4-18-28(25,26)15-9-16(19(21)22)13(3)17(10-15)20(23)24/h6-10,18H,4-5H2,1-3H3