N-tert-butyl-3-nitro-4-(prop-2-enylamino)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(prop-2-enylamino)benzenesulfonamide Openeye Name: 4-(allylamino)-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-(prop-2-enylamino)benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(prop-2-enylamino)benzenesulfonamide Traditional Name: 4-(allylamino)-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-5-8-14-11-7-6-10(9-12(11)16(17)18)21(19,20)15-13(2,3)4/h5-7,9,14-15H,1,8H2,2-4H3