4-[3-[2-methyl-4-[[N'-(6-methylsulfonylhexyl)carbamimidoyl]amino]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[3-[2-methyl-4-[[N'-(6-methylsulfonylhexyl)carbamimidoyl]amino]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[3-[2-methyl-4-[[N'-(6-methylsulfonylhexyl)carbamimidoyl]amino]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[3-[4-[[amino(6-methylsulfonylhexylimino)methyl]amino]-2-methylphenyl]phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[3-[2-methyl-4-[[N'-(6-methylsulfonylhexyl)carbamimidoyl]amino]phenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[3-[4-[[N'-(6-mesylhexyl)amidino]amino]-2-methyl-phenyl]phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C29H36F3N5O6S4 MolecularWeight: 735.88125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=NCCCCCCS(=O)(=O)C)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=NCCCCCCS(=O)(=O)C)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H35N5O4S4.C2HF3O2/c1-18-15-20(32-27(30)31-13-6-4-5-7-14-39(3,33)34)11-12-22(18)19-9-8-10-21(16-19)40(35,36)24-17-23(25(28)29)38-26(24)37-2;3-2(4,5)1(6)7/h8-12,15-17H,4-7,13-14H2,1-3H3,(H3,28,29)(H3,30,31,32);(H,6,7)