2-methyl-4-(3-methylbutoxy)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-4-(3-methylbutoxy)-5-nitro-benzenesulfonamide Openeye Name: 4-isopentyloxy-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-4-(3-methylbutoxy)-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-4-(3-methylbutoxy)-5-nitrobenzenesulfonamide Traditional Name: 4-isoamoxy-2-methyl-5-nitro-benzenesulfonamide Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCC(C)C

InChI

InChI=1S/C12H18N2O5S/c1-8(2)4-5-19-11-6-9(3)12(20(13,17)18)7-10(11)14(15)16/h6-8H,4-5H2,1-3H3,(H2,13,17,18)