ethanoic acid; N-(2-methylpropyl)-4-nitro-benzenesulfonamide

Systemtic Name: ethanoic acid; N-(2-methylpropyl)-4-nitro-benzenesulfonamide Openeye Name: acetic acid; N-isobutyl-4-nitro-benzenesulfonamide CAS Name: acetic acid; N-(2-methylpropyl)-4-nitrobenzenesulfonamide IUPAC Name: acetic acid; N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: acetic acid; N-isobutyl-4-nitro-benzenesulfonamide Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].CC(=O)O

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].CC(=O)O

InChI

InChI=1S/C10H14N2O4S.C2H4O2/c1-8(2)7-11-17(15,16)10-5-3-9(4-6-10)12(13)14;1-2(3)4/h3-6,8,11H,7H2,1-2H3;1H3,(H,3,4)