N-[(2S)-2-ethylhexyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-ethylhexyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-nitro-benzenesulfonamide Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O4S/c1-3-5-6-12(4-2)11-15-21(19,20)14-9-7-13(8-10-14)16(17)18/h7-10,12,15H,3-6,11H2,1-2H3/t12-/m0/s1