N-[3-(6-tert-butyl-7-chloranyl-2H-pyrazolo[5,1-e][1,2,3,4]tetrazol-4-ium-3-yl)-2,3-dimethyl-butan-2-yl]-2-[2-(octylsulfonylamino)phenoxy]ethanamide

Systemtic Name: N-[3-(6-tert-butyl-7-chloranyl-2H-pyrazolo[5,1-e][1,2,3,4]tetrazol-4-ium-3-yl)-2,3-dimethyl-butan-2-yl]-2-[2-(octylsulfonylamino)phenoxy]ethanamide Openeye Name: N-[2-(6-tert-butyl-7-chloro-2H-pyrazolo[5,1-e]tetrazol-4-ium-3-yl)-1,1,2-trimethyl-propyl]-2-[2-(octylsulfonylamino)phenoxy]acetamide CAS Name: N-[3-(6-tert-butyl-7-chloro-2H-pyrazolo[5,1-e]tetrazol-4-ium-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(octylsulfonylamino)phenoxy]acetamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-2H-pyrazolo[5,1-e]tetrazol-4-ium-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(octylsulfonylamino)phenoxy]acetamide Traditional Name: N-[2-(6-tert-butyl-7-chloro-2H-pyrazolo[5,1-e]tetrazol-4-ium-3-yl)-1,1,2-trimethyl-propyl]-2-[2-(octylsulfonylamino)phenoxy]acetamide Formula: C29H47ClN7O4S+ MolecularWeight: 625.24598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC=CC=C1OCC(=O)NC(C)(C)C(C)(C)N2NN=C3[N+]2=NC(=C3Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC=CC=C1OCC(=O)NC(C)(C)C(C)(C)N2NN=C3[N+]2=NC(=C3Cl)C(C)(C)C

InChI

InChI=1S/C29H46ClN7O4S/c1-9-10-11-12-13-16-19-42(39,40)34-21-17-14-15-18-22(21)41-20-23(38)31-28(5,6)29(7,8)37-35-32-26-24(30)25(27(2,3)4)33-36(26)37/h14-15,17-18,34H,9-13,16,19-20H2,1-8H3,(H,31,38)/p+1