methyl 2-[3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]propyl-(3-carbamimidoylphenyl)amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 2-[3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]propyl-(3-carbamimidoylphenyl)amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 2-[N-[3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]propyl]-3-carbamimidoyl-anilino]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[N-[3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]propyl]-3-carbamimidoylanilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 2-[N-[3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]propyl]-3-carbamimidoylanilino]acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[3-amidino-N-[3-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]propyl]anilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C31H37F3N4O6S MolecularWeight: 650.70889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CCCN(CC(=O)OC)C3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CCCN(CC(=O)OC)C3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C29H36N4O4S.C2HF3O2/c1-29(2,3)32-38(35,36)26-13-6-5-12-25(26)22-16-14-21(15-17-22)9-8-18-33(20-27(34)37-4)24-11-7-10-23(19-24)28(30)31;3-2(4,5)1(6)7/h5-7,10-17,19,32H,8-9,18,20H2,1-4H3,(H3,30,31);(H,6,7)