4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(8-quinolinylsulfonylamino)-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-[(4-amidinophenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]butyric acid Formula: C28H26N6O5S MolecularWeight: 558.60824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)N(C(=N4)COC5=CC=C(C=C5)C(=N)N)CCCC(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)N(C(=N4)COC5=CC=C(C=C5)C(=N)N)CCCC(=O)O)N=CC=C2

InChI

InChI=1S/C28H26N6O5S/c29-28(30)19-8-11-21(12-9-19)39-17-25-32-22-16-20(10-13-23(22)34(25)15-3-7-26(35)36)33-40(37,38)24-6-1-4-18-5-2-14-31-27(18)24/h1-2,4-6,8-14,16,33H,3,7,15,17H2,(H3,29,30)(H,35,36)