4-[3-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[3-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[3-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[3-[2-methyl-6-[(4-methyl-1-piperazinyl)methyl]phenyl]phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[3-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[3-[2-methyl-6-[(4-methylpiperazino)methyl]phenyl]phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C29H32F6N4O6S3 MolecularWeight: 742.772999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CN2CCN(CC2)C)C3=CC(=CC=C3)S(=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)CN2CCN(CC2)C)C3=CC(=CC=C3)S(=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/C25H30N4O2S3.2C2HF3O2/c1-17-6-4-8-19(16-29-12-10-28(2)11-13-29)23(17)18-7-5-9-20(14-18)34(30,31)22-15-21(24(26)27)33-25(22)32-3;2*3-2(4,5)1(6)7/h4-9,14-15H,10-13,16H2,1-3H3,(H3,26,27);2*(H,6,7)