N-tert-butyl-3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[[5-[(2R)-2-oxolanyl]-1H-1,2,4-triazol-3-yl]thio]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]thio]benzenesulfonamide Formula: C16H21N5O5S2 MolecularWeight: 427.49844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)[C@H]3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S2/c1-16(2,3)20-28(24,25)10-6-7-13(11(9-10)21(22)23)27-15-17-14(18-19-15)12-5-4-8-26-12/h6-7,9,12,20H,4-5,8H2,1-3H3,(H,17,18,19)/t12-/m1/s1