4-[4-[[1-[2,3-bis(oxidanylidene)pent-4-ynyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-2-(hexadeca-1,3,5,7,9,11,13,15-octaynylsulfonylamino)phenoxy]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: 4-[4-[[1-[2,3-bis(oxidanylidene)pent-4-ynyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-2-(hexadeca-1,3,5,7,9,11,13,15-octaynylsulfonylamino)phenoxy]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: 4-[4-[[1-(2,3-dioxopent-4-ynyl)tetrazol-5-yl]sulfanylmethyl]-2-(hexadeca-1,3,5,7,9,11,13,15-octaynylsulfonylamino)phenoxy]-1-hydroxy-naphthalene-2-carboxamide CAS Name: 4-[4-[[[1-(2,3-dioxopent-4-ynyl)-5-tetrazolyl]thio]methyl]-2-(hexadeca-1,3,5,7,9,11,13,15-octaynylsulfonylamino)phenoxy]-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: 4-[4-[[1-(2,3-dioxopent-4-ynyl)tetrazol-5-yl]sulfanylmethyl]-2-(hexadeca-1,3,5,7,9,11,13,15-octaynylsulfonylamino)phenoxy]-1-hydroxynaphthalene-2-carboxamide Traditional Name: 4-[4-[[[1-(2,3-diketopent-4-ynyl)tetrazol-5-yl]thio]methyl]-2-(hexadeca-1,3,5,7,9,11,13,15-octaynylsulfonylamino)phenoxy]-1-hydroxy-2-naphthamide Formula: C40H18N6O7S2 MolecularWeight: 758.73692

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Descriptors Computed from Structure

Canonical SMILES:

C#CC#CC#CC#CC#CC#CC#CC#CS(=O)(=O)NC1=C(C=CC(=C1)CSC2=NN=NN2CC(=O)C(=O)C#C)OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N

Isomeric SMILES

C#CC#CC#CC#CC#CC#CC#CC#CS(=O)(=O)NC1=C(C=CC(=C1)CSC2=NN=NN2CC(=O)C(=O)C#C)OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N

InChI

InChI=1S/C40H18N6O7S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-55(51,52)43-33-25-29(28-54-40-42-44-45-46(40)27-35(48)34(47)4-2)22-23-36(33)53-37-26-32(39(41)50)38(49)31-21-18-17-20-30(31)37/h1-2,17-18,20-23,25-26,43,49H,27-28H2,(H2,41,50)