N,N-diethyl-3-nitro-4-(3-oxidanylpropylamino)benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O5S/c1-3-15(4-2)22(20,21)11-6-7-12(14-8-5-9-17)13(10-11)16(18)19/h6-7,10,14,17H,3-5,8-9H2,1-2H3