5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazole Openeye Name: 5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1-(tetrahydrofuran-2-ylmethyl)tetrazole CAS Name: 5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1-(2-oxolanylmethyl)tetrazole IUPAC Name: 5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1-(oxolan-2-ylmethyl)tetrazole Traditional Name: 5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1-(tetrahydrofurfuryl)tetrazole Formula: C16H20N6O5S2 MolecularWeight: 440.4972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3CC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3CC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O5S2/c23-22(24)14-10-13(29(25,26)20-7-1-2-8-20)5-6-15(14)28-16-17-18-19-21(16)11-12-4-3-9-27-12/h5-6,10,12H,1-4,7-9,11H2