3-nitro-4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[[5-pyrrolidin-1-yl-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide CAS Name: 3-nitro-4-[[4-[[(2R)-2-oxolanyl]methyl]-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[[5-pyrrolidino-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]thio]benzenesulfonamide Formula: C20H28N6O5S2 MolecularWeight: 496.60352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC3CCCO3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C[C@H]3CCCO3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O5S2/c1-14(2)23-33(29,30)16-7-8-18(17(12-16)26(27)28)32-20-22-21-19(24-9-3-4-10-24)25(20)13-15-6-5-11-31-15/h7-8,12,14-15,23H,3-6,9-11,13H2,1-2H3/t15-/m1/s1