3-nitro-N-octan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-N-octan-2-yl-benzenesulfonamide Openeye Name: N-(1-methylheptyl)-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-octan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-N-octan-2-ylbenzenesulfonamide Traditional Name: N-(1-methylheptyl)-3-nitro-benzenesulfonamide Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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