methyl 2-[(3-carbamimidoylphenyl)-[2-[4-(2-sulfamoylphenyl)phenyl]ethyl]amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)-[2-[4-(2-sulfamoylphenyl)phenyl]ethyl]amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 2-[3-carbamimidoyl-N-[2-[4-(2-sulfamoylphenyl)phenyl]ethyl]anilino]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[3-carbamimidoyl-N-[2-[4-(2-sulfamoylphenyl)phenyl]ethyl]anilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 2-[3-carbamimidoyl-N-[2-[4-(2-sulfamoylphenyl)phenyl]ethyl]anilino]acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[3-amidino-N-[2-[4-(2-sulfamoylphenyl)phenyl]ethyl]anilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C26H27F3N4O6S MolecularWeight: 580.57599

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)CN(CCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H26N4O4S.C2HF3O2/c1-32-23(29)16-28(20-6-4-5-19(15-20)24(25)26)14-13-17-9-11-18(12-10-17)21-7-2-3-8-22(21)33(27,30)31;3-2(4,5)1(6)7/h2-12,15H,13-14,16H2,1H3,(H3,25,26)(H2,27,30,31);(H,6,7)