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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5S2/c1-3-20(4-2)28(24,25)11-7-8-14(12(10-11)21(22)23)27-16-17-15(18-19-16)13-6-5-9-26-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,18,19)/t13-/m1/s1