N-tert-butyl-2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Openeye Name: N-tert-butyl-2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide CAS Name: N-tert-butyl-2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-[4-[[3-butyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Traditional Name: N-tert-butyl-2-[4-[[3-butyl-5-keto-1-(3-nitrophenyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H33N5O5S/c1-5-6-14-27-30-33(23-10-9-11-24(19-23)34(36)37)28(35)32(27)20-21-15-17-22(18-16-21)25-12-7-8-13-26(25)40(38,39)31-29(2,3)4/h7-13,15-19,31H,5-6,14,20H2,1-4H3