N-[4-[[[2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]amino]sulfamoyl]phenyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[4-[[[2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]amino]sulfamoyl]phenyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[4-[[[2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]amino]sulfamoyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[4-[[[2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-oxoethyl]amino]sulfamoyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[4-[[[2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]amino]sulfamoyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[4-[[[2-(4-amidinoanilino)-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]amino]sulfamoyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid Formula: C30H35F3N6O8S MolecularWeight: 696.69451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)NC3=CC=C(C=C3)C(=N)N)OC(C)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)NC3=CC=C(C=C3)C(=N)N)OC(C)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H34N6O6S.C2HF3O2/c1-5-39-25-16-20(8-15-24(25)40-17(2)3)26(32-22-9-6-19(7-10-22)27(29)30)28(36)33-34-41(37,38)23-13-11-21(12-14-23)31-18(4)35;3-2(4,5)1(6)7/h6-17,26,32,34H,5H2,1-4H3,(H3,29,30)(H,31,35)(H,33,36);(H,6,7)