N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-4-(trifluoromethylsulfonylamino)butanamide

Systemtic Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]-4-(trifluoromethylsulfonylamino)butanamide Openeye Name: N-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]-4-(trifluoromethylsulfonylamino)butanamide CAS Name: N-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]-4-(trifluoromethylsulfonylamino)butanamide IUPAC Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-4-(trifluoromethylsulfonylamino)butanamide Traditional Name: N-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-4-(triflylamino)butyramide Formula: C24H25F3N4O5S4 MolecularWeight: 634.73431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25F3N4O5S4/c1-14-6-3-9-17(31-20(32)10-5-11-30-40(35,36)24(25,26)27)21(14)15-7-4-8-16(12-15)39(33,34)19-13-18(22(28)29)38-23(19)37-2/h3-4,6-9,12-13,30H,5,10-11H2,1-2H3,(H3,28,29)(H,31,32)