N-tert-butyl-3-nitro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzenesulfonamide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-18(2,3)21-29(25,26)13-9-10-15(14(11-13)22(23)24)28-17-20-19-16(27-17)12-7-5-4-6-8-12/h4-11,21H,1-3H3