N-(3-methanoylheptan-3-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(3-methanoylheptan-3-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(1-ethyl-1-formyl-pentyl)-2-nitro-benzenesulfonamide CAS Name: N-(3-formylheptan-3-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(3-formylheptan-3-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(1-ethyl-1-formyl-pentyl)-2-nitro-benzenesulfonamide Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c1-3-5-10-14(4-2,11-17)15-22(20,21)13-9-7-6-8-12(13)16(18)19/h6-9,11,15H,3-5,10H2,1-2H3