4-[5-bromanyl-6-[(4-sulfamoylphenyl)methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[5-bromanyl-6-[(4-sulfamoylphenyl)methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[[5-bromo-6-[(4-sulfamoylphenyl)methylamino]-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[[5-bromo-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[5-bromo-6-[(4-sulfamoylphenyl)methylamino]pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[[5-bromo-6-[(4-sulfamoylbenzyl)amino]-3-pyridyl]sulfonyl]-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C20H19BrF3N5O6S4 MolecularWeight: 690.55397

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H18BrN5O4S4.C2HF3O2/c1-29-18-15(7-14(30-18)16(20)21)31(25,26)12-6-13(19)17(24-9-12)23-8-10-2-4-11(5-3-10)32(22,27)28;3-2(4,5)1(6)7/h2-7,9H,8H2,1H3,(H3,20,21)(H,23,24)(H2,22,27,28);(H,6,7)