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

Systemtic Name: N-tert-butyl-5-[3-butyl-1-(2-chloranyl-5-nitro-phenyl)-4-methyl-5-oxidanylidene-1,2,4-triazol-4-ium-4-yl]-2-phenyl-benzenesulfonamide Openeye Name: N-tert-butyl-5-[3-butyl-1-(2-chloro-5-nitro-phenyl)-4-methyl-5-oxo-1,2,4-triazol-4-ium-4-yl]-2-phenyl-benzenesulfonamide CAS Name: N-tert-butyl-5-[3-butyl-1-(2-chloro-5-nitrophenyl)-4-methyl-5-oxo-1,2,4-triazol-4-ium-4-yl]-2-phenylbenzenesulfonamide IUPAC Name: N-tert-butyl-5-[3-butyl-1-(2-chloro-5-nitrophenyl)-4-methyl-5-oxo-1,2,4-triazol-4-ium-4-yl]-2-phenylbenzenesulfonamide Traditional Name: N-tert-butyl-5-[3-butyl-1-(2-chloro-5-nitro-phenyl)-5-keto-4-methyl-1,2,4-triazol-4-ium-4-yl]-2-phenyl-benzenesulfonamide Formula: C29H33ClN5O5S+ MolecularWeight: 599.12082

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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=C(C=CC(=C4)[N+](=O)[O-])Cl

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=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H33ClN5O5S/c1-6-7-13-27-31-33(25-18-21(34(37)38)14-17-24(25)30)28(36)35(27,5)22-15-16-23(20-11-9-8-10-12-20)26(19-22)41(39,40)32-29(2,3)4/h8-12,14-19,32H,6-7,13H2,1-5H3/q+1