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

Systemtic Name: N-tert-butyl-5-[3-butyl-4-methyl-1-(3-nitrophenyl)-5-oxidanylidene-1,2,4-triazol-4-ium-4-yl]-2-phenyl-benzenesulfonamide Openeye Name: N-tert-butyl-5-[3-butyl-4-methyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-ium-4-yl]-2-phenyl-benzenesulfonamide CAS Name: N-tert-butyl-5-[3-butyl-4-methyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-ium-4-yl]-2-phenylbenzenesulfonamide IUPAC Name: N-tert-butyl-5-[3-butyl-4-methyl-1-(3-nitrophenyl)-5-oxo-1,2,4-triazol-4-ium-4-yl]-2-phenylbenzenesulfonamide Traditional Name: N-tert-butyl-5-[3-butyl-5-keto-4-methyl-1-(3-nitrophenyl)-1,2,4-triazol-4-ium-4-yl]-2-phenyl-benzenesulfonamide Formula: C29H34N5O5S+ MolecularWeight: 564.67576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)[N+]1(C)C2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(C)(C)C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN(C(=O)[N+]1(C)C2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(C)(C)C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H34N5O5S/c1-6-7-16-27-30-32(22-14-11-15-23(19-22)33(36)37)28(35)34(27,5)24-17-18-25(21-12-9-8-10-13-21)26(20-24)40(38,39)31-29(2,3)4/h8-15,17-20,31H,6-7,16H2,1-5H3/q+1