4-[S-[3-[4-[bis(azanyl)methylideneamino]-2-methyl-phenyl]phenyl]-N-(3-nitrophenyl)sulfonyl-sulfonimidoyl]-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[S-[3-[4-[bis(azanyl)methylideneamino]-2-methyl-phenyl]phenyl]-N-(3-nitrophenyl)sulfonyl-sulfonimidoyl]-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[S-[3-(4-guanidino-2-methyl-phenyl)phenyl]-N-(3-nitrophenyl)sulfonyl-sulfonimidoyl]-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[S-[3-[4-(diaminomethylideneamino)-2-methylphenyl]phenyl]-N-(3-nitrophenyl)sulfonylsulfonimidoyl]-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[S-[3-[4-(diaminomethylideneamino)-2-methylphenyl]phenyl]-N-(3-nitrophenyl)sulfonylsulfonimidoyl]-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[S-[3-(4-guanidino-2-methyl-phenyl)phenyl]-N-(3-nitrophenyl)sulfonyl-sulfonimidoyl]-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C30H27F6N7O9S4 MolecularWeight: 871.827299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=C(N)N)C2=CC(=CC=C2)S(=NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])(=O)C4=C(SC(=C4)C(=N)N)SC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=CC(=C1)N=C(N)N)C2=CC(=CC=C2)S(=NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])(=O)C4=C(SC(=C4)C(=N)N)SC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H25N7O5S4.2C2HF3O2/c1-15-11-17(31-26(29)30)9-10-21(15)16-5-3-7-19(12-16)41(36,23-14-22(24(27)28)40-25(23)39-2)32-42(37,38)20-8-4-6-18(13-20)33(34)35;2*3-2(4,5)1(6)7/h3-14H,1-2H3,(H3,27,28)(H4,29,30,31);2*(H,6,7)