N-[3-(2-methylpropoxy)propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(2-methylpropoxy)propyl]-4-nitro-benzenesulfonamide Openeye Name: N-(3-isobutoxypropyl)-4-nitro-benzenesulfonamide CAS Name: N-[3-(2-methylpropoxy)propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(2-methylpropoxy)propyl]-4-nitrobenzenesulfonamide Traditional Name: N-(3-isobutoxypropyl)-4-nitro-benzenesulfonamide Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O5S/c1-11(2)10-20-9-3-8-14-21(18,19)13-6-4-12(5-7-13)15(16)17/h4-7,11,14H,3,8-10H2,1-2H3