N-tert-butyl-3-nitro-4-(3-oxidanylpropylamino)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(3-oxidanylpropylamino)benzenesulfonamide Openeye Name: N-tert-butyl-4-(3-hydroxypropylamino)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(3-hydroxypropylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(3-hydroxypropylamino)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(3-hydroxypropylamino)-3-nitro-benzenesulfonamide Formula: C13H21N3O5S MolecularWeight: 331.38794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O5S/c1-13(2,3)15-22(20,21)10-5-6-11(14-7-4-8-17)12(9-10)16(18)19/h5-6,9,14-15,17H,4,7-8H2,1-3H3