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

Systemtic Name: N-tert-butyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzenesulfonamide CAS Name: N-tert-butyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]thio]benzenesulfonamide Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-12-5-7-13(8-6-12)17-20-21-18(28-17)29-16-10-9-14(11-15(16)23(24)25)30(26,27)22-19(2,3)4/h5-11,22H,1-4H3