N-[4-[2-(6-nitrobenzotriazol-1-yl)carbonylhydrazinyl]phenyl]-4-(2-tridecylsulfanylethylsulfonylamino)benzenesulfonamide

Systemtic Name: N-[4-[2-(6-nitrobenzotriazol-1-yl)carbonylhydrazinyl]phenyl]-4-(2-tridecylsulfanylethylsulfonylamino)benzenesulfonamide Openeye Name: N-[4-[2-(6-nitrobenzotriazole-1-carbonyl)hydrazino]phenyl]-4-(2-tridecylsulfanylethylsulfonylamino)benzenesulfonamide CAS Name: N-[4-[[(6-nitro-1-benzotriazolyl)-oxomethyl]hydrazo]phenyl]-4-[2-(tridecylthio)ethylsulfonylamino]benzenesulfonamide IUPAC Name: N-[4-[2-(6-nitrobenzotriazole-1-carbonyl)hydrazinyl]phenyl]-4-(2-tridecylsulfanylethylsulfonylamino)benzenesulfonamide Traditional Name: N-[4-[N'-(6-nitrobenzotriazole-1-carbonyl)hydrazino]phenyl]-4-[2-(tridecylthio)ethylsulfonylamino]benzenesulfonamide Formula: C34H46N8O7S3 MolecularWeight: 774.97344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSCCS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NNC(=O)N3C4=C(C=CC(=C4)[N+](=O)[O-])N=N3

Isomeric SMILES

CCCCCCCCCCCCCSCCS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NNC(=O)N3C4=C(C=CC(=C4)[N+](=O)[O-])N=N3

InChI

InChI=1S/C34H46N8O7S3/c1-2-3-4-5-6-7-8-9-10-11-12-23-50-24-25-51(46,47)38-28-17-20-31(21-18-28)52(48,49)39-29-15-13-27(14-16-29)35-37-34(43)41-33-26-30(42(44)45)19-22-32(33)36-40-41/h13-22,26,35,38-39H,2-12,23-25H2,1H3,(H,37,43)