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

Systemtic Name: N-ethyl-3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-benzenesulfonamide Openeye Name: N-ethyl-3-nitro-N-phenyl-4-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide CAS Name: N-ethyl-3-nitro-4-[[5-[(2R)-2-oxolanyl]-1H-1,2,4-triazol-3-yl]thio]-N-phenylbenzenesulfonamide IUPAC Name: N-ethyl-3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]thio]benzenesulfonamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCO4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)[C@H]4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-2-24(14-7-4-3-5-8-14)32(28,29)15-10-11-18(16(13-15)25(26)27)31-20-21-19(22-23-20)17-9-6-12-30-17/h3-5,7-8,10-11,13,17H,2,6,9,12H2,1H3,(H,21,22,23)/t17-/m1/s1