N-(4-methylpentyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylpentyl)-4-nitro-benzenesulfonamide Openeye Name: N-isohexyl-4-nitro-benzenesulfonamide CAS Name: N-(4-methylpentyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(4-methylpentyl)-4-nitrobenzenesulfonamide Traditional Name: N-isohexyl-4-nitro-benzenesulfonamide Formula: C12H18N2O4S MolecularWeight: 286.34732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-10(2)4-3-9-13-19(17,18)12-7-5-11(6-8-12)14(15)16/h5-8,10,13H,3-4,9H2,1-2H3